N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide

C32H34BrN3O3 — CID 72548025

IUPACN-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)N(c1ccc(C(C)=O)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC
InChIInChI=1S/C32H34BrN3O3/c1-6-35(7-2)21(3)32(38)36(27-16-13-23(14-17-27)22(4)37)30(24-11-9-8-10-12-24)28-20-25-19-26(33)15-18-29(25)34-31(28)39-5/h8-21,30H,6-7H2,1-5H3
InChIKeyHLTOZLHAIIKDAB-UHFFFAOYSA-N
MW588.55 g/mol
LogP7.06
Rot. Bonds10

About N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide

N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide (PubChem CID 72548025) has the molecular formula C32H34BrN3O3 and a molecular weight of 588.55 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide
PubChem CID72548025
Molecular FormulaC32H34BrN3O3
Molecular Weight588.55 g/mol
Exact Mass587.18
IUPAC NameN-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)N(c1ccc(C(C)=O)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC
InChIInChI=1S/C32H34BrN3O3/c1-6-35(7-2)21(3)32(38)36(27-16-13-23(14-17-27)22(4)37)30(24-11-9-8-10-12-24)28-20-25-19-26(33)15-18-29(25)34-31(28)39-5/h8-21,30H,6-7H2,1-5H3
InChIKeyHLTOZLHAIIKDAB-UHFFFAOYSA-N
XLogP7.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.55
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-methyl-2-(methylamino)butanamide
CID 141408684
N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(2-phenylethylamino)acetamide
CID 141332675
(1S)-N-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-naphthalen-1-ylethanamine
CID 139236694
N'-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-N'-[(3-methoxyphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 59766838
1-(6-bromo-2-methoxyquinolin-3-yl)-6-chloro-1-phenylhexan-2-one
CID 59239951
N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide
CID 141302849
N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 141302852
(3-bromophenyl)-[3-[4-(dimethylamino)-2-hydroxy-2-naphthalen-1-yl-1-phenylbutyl]-2-methoxyquinolin-6-yl]methanone
CID 59199486
(1S,2R)-7-bromo-1-[(R)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 127026044
(2R)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CID 138110294
(3S,4R)-4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-naphthalen-1-yl-4-phenylbutanal
CID 176915260
1-(6-bromo-2-methoxyquinolin-3-yl)-3-methylsulfanyl-1,2-diphenylpropan-2-ol
CID 143687575

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide?
The IUPAC name of N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide (CID 72548025) is N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide is CCN(CC)C(C)C(=O)N(c1ccc(C(C)=O)cc1)C(c1ccccc1)c1cc2cc(Br)ccc2nc1OC.
What is the InChIKey of N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide?
The InChIKey is HLTOZLHAIIKDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34BrN3O3/c1-6-35(7-2)21(3)32(38)36(27-16-13-23(14-17-27)22(4)37)30(24-11-9-8-10-12-24)28-20-25-19-26(33)15-18-29(25)34-31(28)39-5/h8-21,30H,6-7H2,1-5H3.
What are the key properties of N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide?
N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide has a molecular weight of 588.55 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide is sourced from PubChem (CID 72548025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).