(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide

C20H23N3O2 — CID 126418132

IUPAC(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc12
InChIInChI=1S/C20H23N3O2/c1-13(2)10-18(23-8-4-5-9-23)20(25)21-15-6-7-16-14(3)11-19(24)22-17(16)12-15/h4-9,11-13,18H,10H2,1-3H3,(H,21,25)(H,22,24)/t18-/m0/s1
InChIKeyPBWFOZGSAXGBGI-SFHVURJKSA-N
MW337.42 g/mol
LogP3.86
Rot. Bonds5

About (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide

(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide (PubChem CID 126418132) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
PubChem CID126418132
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide
SMILESCc1cc(=O)[nH]c2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc12
InChIInChI=1S/C20H23N3O2/c1-13(2)10-18(23-8-4-5-9-23)20(25)21-15-6-7-16-14(3)11-19(24)22-17(16)12-15/h4-9,11-13,18H,10H2,1-3H3,(H,21,25)(H,22,24)/t18-/m0/s1
InChIKeyPBWFOZGSAXGBGI-SFHVURJKSA-N
XLogP3.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-oxo-1H-quinolin-7-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121238974
4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
(2R)-N-(3H-benzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 110205851
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239966
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
(2S)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 125431705
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239638
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
2-[bis[2-[carboxymethyl-[2-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101390689
3-(fluoroamino)-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-oxohexanamide
CID 143418586
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide?
The IUPAC name of (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide (CID 126418132) is (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide.
What is the SMILES notation for (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide?
The canonical SMILES for (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide is Cc1cc(=O)[nH]c2cc(NC(=O)[C@H](CC(C)C)n3cccc3)ccc12.
What is the InChIKey of (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide?
The InChIKey is PBWFOZGSAXGBGI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)10-18(23-8-4-5-9-23)20(25)21-15-6-7-16-14(3)11-19(24)22-17(16)12-15/h4-9,11-13,18H,10H2,1-3H3,(H,21,25)(H,22,24)/t18-/m0/s1.
What are the key properties of (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide?
(2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide has a molecular weight of 337.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-pyrrol-1-ylpentanamide is sourced from PubChem (CID 126418132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).