3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one

C146H100N12O6 — CID 162079195

IUPAC3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one
SMILESCOc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ccccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ncccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ccccc3c2)nc2ccccc2c1=O.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ncccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C40H28N2O2.C39H27N3O2.C34H23N3O.C33H22N4O/c1-27-23-28(11-12-29-14-18-34-26-35(44-2)20-19-33(34)25-29)15-21-38(27)42-39(41-37-10-6-5-9-36(37)40(42)43)22-16-30-13-17-31-7-3-4-8-32(31)24-30;1-26-22-27(9-10-28-11-15-31-25-33(44-2)17-16-30(31)23-28)13-19-37(26)42-38(41-36-8-4-3-7-34(36)39(42)43)20-14-29-12-18-35-32(24-29)6-5-21-40-35;1-24-21-25(12-13-27-7-6-20-35-23-27)15-18-32(24)37-33(36-31-11-5-4-10-30(31)34(37)38)19-16-26-14-17-28-8-2-3-9-29(28)22-26;1-23-20-24(10-11-26-6-4-18-34-22-26)13-16-31(23)37-32(36-30-9-3-2-8-28(30)33(37)38)17-14-25-12-15-29-27(21-25)7-5-19-35-29/h3-10,13-26H,1-2H3;3-8,11-25H,1-2H3;2-11,14-23H,1H3;2-9,12-22H,1H3/b22-16+;20-14+;19-16+;17-14+
InChIKeyZCCLBXDIYLLOLF-ZYKHTGJUSA-N
MW2118.48 g/mol
LogP29.57
Rot. Bonds14

About 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one

3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one (PubChem CID 162079195) has the molecular formula C146H100N12O6 and a molecular weight of 2118.48 g/mol. Its IUPAC name is 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one
PubChem CID162079195
Molecular FormulaC146H100N12O6
Molecular Weight2118.48 g/mol
Exact Mass2116.79
IUPAC Name3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one
SMILESCOc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ccccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ncccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ccccc3c2)nc2ccccc2c1=O.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ncccc3c2)nc2ccccc2c1=O
InChIInChI=1S/C40H28N2O2.C39H27N3O2.C34H23N3O.C33H22N4O/c1-27-23-28(11-12-29-14-18-34-26-35(44-2)20-19-33(34)25-29)15-21-38(27)42-39(41-37-10-6-5-9-36(37)40(42)43)22-16-30-13-17-31-7-3-4-8-32(31)24-30;1-26-22-27(9-10-28-11-15-31-25-33(44-2)17-16-30(31)23-28)13-19-37(26)42-38(41-36-8-4-3-7-34(36)39(42)43)20-14-29-12-18-35-32(24-29)6-5-21-40-35;1-24-21-25(12-13-27-7-6-20-35-23-27)15-18-32(24)37-33(36-31-11-5-4-10-30(31)34(37)38)19-16-26-14-17-28-8-2-3-9-29(28)22-26;1-23-20-24(10-11-26-6-4-18-34-22-26)13-16-31(23)37-32(36-30-9-3-2-8-28(30)33(37)38)17-14-25-12-15-29-27(21-25)7-5-19-35-29/h3-10,13-26H,1-2H3;3-8,11-25H,1-2H3;2-11,14-23H,1H3;2-9,12-22H,1H3/b22-16+;20-14+;19-16+;17-14+
InChIKeyZCCLBXDIYLLOLF-ZYKHTGJUSA-N
XLogP29.57
TPSA209.58 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.48
LogP ≤ 529.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one with MolForge

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Related Compounds

N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4-methylphenyl]quinoline-3-carboxamide
CID 15511445
US9828369, Example 32
CID 118916607
(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)-2-(2-(quinolin-4-yl)vinyl)quinazolin-4(3H)-one
CID 60148237
1,4-Bis((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)anthracene-9,10-dione
CID 70700858
1,4-Bis[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione
CID 77896185
1,2-dimethyl-4-propan-2-ylbenzene;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;1-ethyl-2-propan-2-ylbenzene;(2-fluoro-5-propan-2-ylphenyl)-piperidin-1-ylmethanone;bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-ylnaphthalene;6-propan-2-ylquinoline;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 159556190
Bis[6-[4-(difluoromethoxy)phenyl]-4-[4-[(dimethylamino)methyl]piperidin-1-yl]quinolin-3-yl]methanone
CID 174695414
1,4-bis[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione
CID 133636837
1-[[3-[(4-Methoxyphenyl)methyl]-4-oxobenzo[h]quinazolin-6-yl]methyl]-4-pyridin-2-ylpiperidine-4-carbonitrile
CID 53302577
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]quinazolin-4-one
CID 60161734
3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one
CID 60163051
2-[2-(4-Methoxyphenyl)ethenyl]-3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]quinazolin-4-one
CID 68282770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one?
The IUPAC name of 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one (CID 162079195) is 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one?
The canonical SMILES for 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one is COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ccccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ncccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ccccc3c2)nc2ccccc2c1=O.Cc1cc(C#Cc2cccnc2)ccc1-n1c(/C=C/c2ccc3ncccc3c2)nc2ccccc2c1=O.
What is the InChIKey of 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one?
The InChIKey is ZCCLBXDIYLLOLF-ZYKHTGJUSA-N. The full InChI is InChI=1S/C40H28N2O2.C39H27N3O2.C34H23N3O.C33H22N4O/c1-27-23-28(11-12-29-14-18-34-26-35(44-2)20-19-33(34)25-29)15-21-38(27)42-39(41-37-10-6-5-9-36(37)40(42)43)22-16-30-13-17-31-7-3-4-8-32(31)24-30;1-26-22-27(9-10-28-11-15-31-25-33(44-2)17-16-30(31)23-28)13-19-37(26)42-38(41-36-8-4-3-7-34(36)39(42)43)20-14-29-12-18-35-32(24-29)6-5-21-40-35;1-24-21-25(12-13-27-7-6-20-35-23-27)15-18-32(24)37-33(36-31-11-5-4-10-30(31)34(37)38)19-16-26-14-17-28-8-2-3-9-29(28)22-26;1-23-20-24(10-11-26-6-4-18-34-22-26)13-16-31(23)37-32(36-30-9-3-2-8-28(30)33(37)38)17-14-25-12-15-29-27(21-25)7-5-19-35-29/h3-10,13-26H,1-2H3;3-8,11-25H,1-2H3;2-11,14-23H,1H3;2-9,12-22H,1H3/b22-16+;20-14+;19-16+;17-14+.
What are the key properties of 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one?
3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one has a molecular weight of 2118.48 g/mol, XLogP of 29.57, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[4-[2-(6-methoxynaphthalen-2-yl)ethynyl]-2-methylphenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-naphthalen-2-ylethenyl]quinazolin-4-one;3-[2-methyl-4-(2-pyridin-3-ylethynyl)phenyl]-2-[(E)-2-quinolin-6-ylethenyl]quinazolin-4-one is sourced from PubChem (CID 162079195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).