N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

C30H33N3O4 — CID 22339259

IUPACN-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(NC(C)=O)ccc43)CC2C)cc1OC
InChIInChI=1S/C30H33N3O4/c1-19-16-27(32-15-7-8-21-17-23(31-20(2)34)12-13-25(21)32)24-9-5-6-10-26(24)33(19)30(35)22-11-14-28(36-3)29(18-22)37-4/h5-6,9-14,17-19,27H,7-8,15-16H2,1-4H3,(H,31,34)
InChIKeyLMPAKHKLHVSEES-UHFFFAOYSA-N
MW499.61 g/mol
LogP5.60
Rot. Bonds5

About N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide

N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (PubChem CID 22339259) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
PubChem CID22339259
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC NameN-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(NC(C)=O)ccc43)CC2C)cc1OC
InChIInChI=1S/C30H33N3O4/c1-19-16-27(32-15-7-8-21-17-23(31-20(2)34)12-13-25(21)32)24-9-5-6-10-26(24)33(19)30(35)22-11-14-28(36-3)29(18-22)37-4/h5-6,9-14,17-19,27H,7-8,15-16H2,1-4H3,(H,31,34)
InChIKeyLMPAKHKLHVSEES-UHFFFAOYSA-N
XLogP5.60
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[2-methyl-4-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822836
(3,4-dimethoxyphenyl)-[3-hydroxy-2-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 20822839
[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 20822842
1-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-3-(3,4-dimethoxyphenyl)urea
CID 30374067
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 22339201
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758
2-(3,4-dimethoxyphenyl)-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 7498752
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The IUPAC name of N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide (CID 22339259) is N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is COc1ccc(C(=O)N2c3ccccc3C(N3CCCc4cc(NC(C)=O)ccc43)CC2C)cc1OC.
What is the InChIKey of N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
The InChIKey is LMPAKHKLHVSEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-19-16-27(32-15-7-8-21-17-23(31-20(2)34)12-13-25(21)32)24-9-5-6-10-26(24)33(19)30(35)22-11-14-28(36-3)29(18-22)37-4/h5-6,9-14,17-19,27H,7-8,15-16H2,1-4H3,(H,31,34).
What are the key properties of N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide?
N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3,4-dimethoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3,4-dihydro-2H-quinolin-6-yl]acetamide is sourced from PubChem (CID 22339259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).