3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

C25H24N2O3 — CID 19607868

IUPAC3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CC(C)Cc4ccccc43)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-14-19-6-3-4-9-23(19)27(16-17)25(29)18-10-12-21(13-11-18)26-24(28)20-7-5-8-22(15-20)30-2/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeyVRWTXEQVJLEQHD-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.79
Rot. Bonds4

About 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 19607868) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID19607868
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(C(=O)N3CC(C)Cc4ccccc43)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-14-19-6-3-4-9-23(19)27(16-17)25(29)18-10-12-21(13-11-18)26-24(28)20-7-5-8-22(15-20)30-2/h3-13,15,17H,14,16H2,1-2H3,(H,26,28)
InChIKeyVRWTXEQVJLEQHD-UHFFFAOYSA-N
XLogP4.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23099491
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-pyridin-3-yloxyphenyl)methanone
CID 71933279
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
[4-[(3S)-3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methylurea
CID 95335952
1,3-benzodioxol-5-yl-(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110662954
2-methyl-N-[4-(3-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]benzamide
CID 67671274
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
N-(4-acetamidophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057111

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 19607868) is 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(C(=O)N3CC(C)Cc4ccccc43)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is VRWTXEQVJLEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-14-19-6-3-4-9-23(19)27(16-17)25(29)18-10-12-21(13-11-18)26-24(28)20-7-5-8-22(15-20)30-2/h3-13,15,17H,14,16H2,1-2H3,(H,26,28).
What are the key properties of 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(3-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 19607868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).