N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide

C29H31N3O2 — CID 53262437

IUPACN-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide
SMILESC[C@@H]1CCCN1Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)ccc1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34)/t20-/m1/s1
InChIKeyUVEZHZVGDONTIH-HXUWFJFHSA-N
MW453.59 g/mol
LogP5.50
Rot. Bonds5

About N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide

N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide (PubChem CID 53262437) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide
PubChem CID53262437
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC NameN-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide
SMILESC[C@@H]1CCCN1Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)ccc1-c1ccccc1
InChIInChI=1S/C29H31N3O2/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34)/t20-/m1/s1
InChIKeyUVEZHZVGDONTIH-HXUWFJFHSA-N
XLogP5.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 636389
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
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CID 156907158
Yqnkitkmolerfy-uhfffaoysa-
CID 10501415
2-Methyl-6-methylamino-benzo[de]isoquinoline-1,3-dione
CID 3109741
N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide
CID 669479
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CID 2835229

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide?
The IUPAC name of N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide (CID 53262437) is N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide?
The canonical SMILES for N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide is C[C@@H]1CCCN1Cc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CC3)ccc1-c1ccccc1.
What is the InChIKey of N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide?
The InChIKey is UVEZHZVGDONTIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-20-7-6-16-32(20)19-24-17-23(11-14-26(24)21-8-4-3-5-9-21)29(34)30-25-13-10-22-12-15-28(33)31(2)27(22)18-25/h3-5,8-11,13-14,17-18,20H,6-7,12,15-16,19H2,1-2H3,(H,30,34)/t20-/m1/s1.
What are the key properties of N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide?
N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide has a molecular weight of 453.59 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-phenylbenzamide is sourced from PubChem (CID 53262437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).