4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid

C25H24N4O3 — CID 141053192

IUPAC4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid
SMILESCc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)O)ccc32)c2ccccc2n1
InChIInChI=1S/C25H24N4O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-29-9-8-16-11-17(6-7-23(16)29)24(30)28-22-13-26-12-20(22)25(31)32/h2-11,20,22,26H,12-14H2,1H3,(H,28,30)(H,31,32)
InChIKeyCZLYWOZZZMEYIX-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.95
Rot. Bonds5

About 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid

4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid (PubChem CID 141053192) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid
PubChem CID141053192
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid
SMILESCc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)O)ccc32)c2ccccc2n1
InChIInChI=1S/C25H24N4O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-29-9-8-16-11-17(6-7-23(16)29)24(30)28-22-13-26-12-20(22)25(31)32/h2-11,20,22,26H,12-14H2,1H3,(H,28,30)(H,31,32)
InChIKeyCZLYWOZZZMEYIX-UHFFFAOYSA-N
XLogP2.95
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hydroxycarbamoyl)pyrrolidin-3-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide
CID 22258552
N-hydroxy-4-[[2-[1-[(2-methylquinolin-4-yl)methyl]indol-5-yl]acetyl]amino]pyrrolidine-3-carboxamide
CID 139969118
N-[2-(hydroxycarbamoyl)cyclopentyl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;N-hydroxy-3-[[6-[(2-methylquinolin-4-yl)methoxy]naphthalene-1-carbonyl]amino]piperidine-4-carboxamide
CID 157388710
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
N-[4-[2-(hydroxyamino)-2-oxoethyl]oxan-4-yl]-1-[(2-methylquinolin-4-yl)methyl]indole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 18379037
1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
CID 154840665
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]-1-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 91465181
N-[(1R,2S)-2-(hydroxycarbamoyl)-4-(methylamino)cyclopentyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 59876337

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid (CID 141053192) is 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid is Cc1cc(Cn2ccc3cc(C(=O)NC4CNCC4C(=O)O)ccc32)c2ccccc2n1.
What is the InChIKey of 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid?
The InChIKey is CZLYWOZZZMEYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-10-18(19-4-2-3-5-21(19)27-15)14-29-9-8-16-11-17(6-7-23(16)29)24(30)28-22-13-26-12-20(22)25(31)32/h2-11,20,22,26H,12-14H2,1H3,(H,28,30)(H,31,32).
What are the key properties of 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid?
4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2-methylquinolin-4-yl)methyl]indole-5-carbonyl]amino]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 141053192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).