3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one

C30H24N4O3 — CID 57330466

IUPAC3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(CCN3Cc4c(cccc4-c4ccncc4)C3=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H24N4O3/c1-37-22-11-9-21(10-12-22)34-28(32-27-8-3-2-5-25(27)30(34)36)15-18-33-19-26-23(20-13-16-31-17-14-20)6-4-7-24(26)29(33)35/h2-14,16-17H,15,18-19H2,1H3
InChIKeyWRTRVOPGECXWGA-UHFFFAOYSA-N
MW488.55 g/mol
LogP4.65
Rot. Bonds6

About 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one

3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one (PubChem CID 57330466) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one
PubChem CID57330466
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc(-n2c(CCN3Cc4c(cccc4-c4ccncc4)C3=O)nc3ccccc3c2=O)cc1
InChIInChI=1S/C30H24N4O3/c1-37-22-11-9-21(10-12-22)34-28(32-27-8-3-2-5-25(27)30(34)36)15-18-33-19-26-23(20-13-16-31-17-14-20)6-4-7-24(26)29(33)35/h2-14,16-17H,15,18-19H2,1H3
InChIKeyWRTRVOPGECXWGA-UHFFFAOYSA-N
XLogP4.65
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one with MolForge

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Related Compounds

2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773
2-(4-methoxyphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 829457
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 708934
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
2-(butylaminomethyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 131874393
2-[2-[3-(4-methoxyphenyl)-2-pyridinyl]ethyl]-4-(1,3-oxazol-2-yl)-3H-isoindol-1-one
CID 57330593
2-[[2-(2,6-dichloroanilino)phenyl]methyl]-3-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]quinazolin-4-one
CID 46899705
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one (CID 57330466) is 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one is COc1ccc(-n2c(CCN3Cc4c(cccc4-c4ccncc4)C3=O)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one?
The InChIKey is WRTRVOPGECXWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-37-22-11-9-21(10-12-22)34-28(32-27-8-3-2-5-25(27)30(34)36)15-18-33-19-26-23(20-13-16-31-17-14-20)6-4-7-24(26)29(33)35/h2-14,16-17H,15,18-19H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one?
3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one has a molecular weight of 488.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-[2-(3-oxo-7-pyridin-4-yl-1H-isoindol-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 57330466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).