4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

C23H21N3O2 — CID 112505958

IUPAC4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-6-8-17(9-7-16)22(27)25-20-10-11-21-18(14-20)5-3-13-26(21)23(28)19-4-2-12-24-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,27)
InChIKeyDCGAQOODCOCQPT-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.24
Rot. Bonds3

About 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide

4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (PubChem CID 112505958) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
PubChem CID112505958
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O2/c1-16-6-8-17(9-7-16)22(27)25-20-10-11-21-18(14-20)5-3-13-26(21)23(28)19-4-2-12-24-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,27)
InChIKeyDCGAQOODCOCQPT-UHFFFAOYSA-N
XLogP4.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
6-oxo-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1H-pyridine-3-carboxamide
CID 110623360
4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920
N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-thiophen-2-ylpropanamide
CID 110303760
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]acetamide
CID 110623427

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide (CID 112505958) is 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccnc2)cc1.
What is the InChIKey of 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
The InChIKey is DCGAQOODCOCQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-6-8-17(9-7-16)22(27)25-20-10-11-21-18(14-20)5-3-13-26(21)23(28)19-4-2-12-24-15-19/h2,4,6-12,14-15H,3,5,13H2,1H3,(H,25,27).
What are the key properties of 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide?
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide is sourced from PubChem (CID 112505958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).