2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine

C101H99Br5ClN11O7 — CID 159780774

IUPAC2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESBrc1ccc(-c2cnc3ccccc3c2NCCN2CCOCC2)cc1.CN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1.COC(=O)c1ccccc1N.Clc1c(-c2ccc(Br)cc2)cnc2ccccc12.O=CCc1ccc(Br)cc1.O=c1c(-c2ccc(Br)cc2)c[nH]c2ccccc12.OCCc1ccc(Br)cc1
InChIInChI=1S/C26H33N5O.C21H22BrN3O.C15H9BrClN.C15H10BrNO.C8H9BrO.C8H7BrO.C8H9NO2/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30;22-17-7-5-16(6-8-17)19-15-24-20-4-2-1-3-18(20)21(19)23-9-10-25-11-13-26-14-12-25;16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17;16-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)15(13)18;2*9-8-3-1-7(2-4-8)5-6-10;1-11-8(10)6-4-2-3-5-7(6)9/h2-9,20H,10-19H2,1H3,(H,27,28);1-8,15H,9-14H2,(H,23,24);1-9H;1-9H,(H,17,18);1-4,10H,5-6H2;1-4,6H,5H2;2-5H,9H2,1H3
InChIKeyNHIHUHDNZXPPFV-UHFFFAOYSA-N
MW2013.95 g/mol
LogP22.31
Rot. Bonds18

About 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine

2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (PubChem CID 159780774) has the molecular formula C101H99Br5ClN11O7 and a molecular weight of 2013.95 g/mol. Its IUPAC name is 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
PubChem CID159780774
Molecular FormulaC101H99Br5ClN11O7
Molecular Weight2013.95 g/mol
Exact Mass2007.33
IUPAC Name2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine
SMILESBrc1ccc(-c2cnc3ccccc3c2NCCN2CCOCC2)cc1.CN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1.COC(=O)c1ccccc1N.Clc1c(-c2ccc(Br)cc2)cnc2ccccc12.O=CCc1ccc(Br)cc1.O=c1c(-c2ccc(Br)cc2)c[nH]c2ccccc12.OCCc1ccc(Br)cc1
InChIInChI=1S/C26H33N5O.C21H22BrN3O.C15H9BrClN.C15H10BrNO.C8H9BrO.C8H7BrO.C8H9NO2/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30;22-17-7-5-16(6-8-17)19-15-24-20-4-2-1-3-18(20)21(19)23-9-10-25-11-13-26-14-12-25;16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17;16-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)15(13)18;2*9-8-3-1-7(2-4-8)5-6-10;1-11-8(10)6-4-2-3-5-7(6)9/h2-9,20H,10-19H2,1H3,(H,27,28);1-8,15H,9-14H2,(H,23,24);1-9H;1-9H,(H,17,18);1-4,10H,5-6H2;1-4,6H,5H2;2-5H,9H2,1H3
InChIKeyNHIHUHDNZXPPFV-UHFFFAOYSA-N
XLogP22.31
TPSA216.63 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002013.95
LogP ≤ 522.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine with MolForge

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Related Compounds

2-aminopyridine-3-carboxylic acid;2-(4-bromophenyl)-4-chloro-1,5-naphthyridine;2-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)-1,5-naphthyridin-4-amine;2-(4-bromophenyl)-1H-1,5-naphthyridin-4-one;methyl 2-aminopyridine-3-carboxylate;2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-1,5-naphthyridin-4-amine
CID 157658978
7-bromo-3-(4-bromophenyl)-4-chloroquinoline;7-bromo-N-(2-morpholin-4-ylethyl)-3-phenylquinolin-4-amine;7-bromo-3-phenyl-1H-quinolin-4-one;methyl 2-amino-4-bromobenzoate;methyl 4-bromo-2-(2-phenylethylideneamino)benzoate;7-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-3-phenylquinolin-4-amine
CID 157881616
Magnesium;2-amino-5-chlorobenzaldehyde;2-(3-amino-6-chloroquinolin-2-yl)propan-2-ol;carbanide;ethanol;ethyl 3-amino-6-chloroquinoline-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 6-chloro-3-pyridin-1-ium-1-ylquinoline-2-carboxylate;ethyl 2-oxo-3-pyridin-1-ium-1-ylpropanoate;methane;morpholine;pyridine;dibromide;chloride
CID 158172965
4-chloro-6-methyl-8-[(E)-2-phenylethenyl]-N-(pyridin-2-ylmethyl)quinoline-2-carboxamide;4-chloro-6-methyl-8-[(E)-2-phenylethenyl]quinoline-2-carboxylic acid;ethyl 8-bromo-6-methyl-4-oxo-1H-quinoline-2-carboxylate;methane;methyl 4-chloro-6-methyl-8-[(E)-2-phenylethenyl]quinoline-2-carboxylate;6-methyl-4-oxo-8-[(E)-2-phenylethenyl]-1H-quinoline-2-carboxylic acid;hydrofluoride
CID 159762085
6-bromo-4-chloro-2-phenylquinoline;6-bromo-N-(2-morpholin-4-ylethyl)-2-phenylquinolin-4-amine;6-bromo-2-phenyl-1H-quinolin-4-one;methane;methyl 2-amino-5-bromobenzoate;6-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-2-phenylquinolin-4-amine
CID 161949190

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The IUPAC name of 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine (CID 159780774) is 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is Brc1ccc(-c2cnc3ccccc3c2NCCN2CCOCC2)cc1.CN1CCN(c2ccc(-c3cnc4ccccc4c3NCCN3CCOCC3)cc2)CC1.COC(=O)c1ccccc1N.Clc1c(-c2ccc(Br)cc2)cnc2ccccc12.O=CCc1ccc(Br)cc1.O=c1c(-c2ccc(Br)cc2)c[nH]c2ccccc12.OCCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
The InChIKey is NHIHUHDNZXPPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O.C21H22BrN3O.C15H9BrClN.C15H10BrNO.C8H9BrO.C8H7BrO.C8H9NO2/c1-29-12-14-31(15-13-29)22-8-6-21(7-9-22)24-20-28-25-5-3-2-4-23(25)26(24)27-10-11-30-16-18-32-19-17-30;22-17-7-5-16(6-8-17)19-15-24-20-4-2-1-3-18(20)21(19)23-9-10-25-11-13-26-14-12-25;16-11-7-5-10(6-8-11)13-9-18-14-4-2-1-3-12(14)15(13)17;16-11-7-5-10(6-8-11)13-9-17-14-4-2-1-3-12(14)15(13)18;2*9-8-3-1-7(2-4-8)5-6-10;1-11-8(10)6-4-2-3-5-7(6)9/h2-9,20H,10-19H2,1H3,(H,27,28);1-8,15H,9-14H2,(H,23,24);1-9H;1-9H,(H,17,18);1-4,10H,5-6H2;1-4,6H,5H2;2-5H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine?
2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine has a molecular weight of 2013.95 g/mol, XLogP of 22.31, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)acetaldehyde;3-(4-bromophenyl)-4-chloroquinoline;2-(4-bromophenyl)ethanol;3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine;3-(4-bromophenyl)-1H-quinolin-4-one;methyl 2-aminobenzoate;3-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)quinolin-4-amine is sourced from PubChem (CID 159780774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).