6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid

C17H17N3O5 — CID 20503430

IUPAC6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)c(=O)ccn2C(=O)O
InChIInChI=1S/C17H17N3O5/c1-10(21)19-7-2-3-14(19)16(23)18-11-4-5-13-12(9-11)15(22)6-8-20(13)17(24)25/h4-6,8-9,14H,2-3,7H2,1H3,(H,18,23)(H,24,25)
InChIKeyKZACFIDYFBFYAB-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.48
Rot. Bonds2

About 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid

6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid (PubChem CID 20503430) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid
PubChem CID20503430
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)c(=O)ccn2C(=O)O
InChIInChI=1S/C17H17N3O5/c1-10(21)19-7-2-3-14(19)16(23)18-11-4-5-13-12(9-11)15(22)6-8-20(13)17(24)25/h4-6,8-9,14H,2-3,7H2,1H3,(H,18,23)(H,24,25)
InChIKeyKZACFIDYFBFYAB-UHFFFAOYSA-N
XLogP1.48
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118691660
1-acetyl-N-[4-[5-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]thiophen-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 76815353
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid?
The IUPAC name of 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid (CID 20503430) is 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid.
What is the SMILES notation for 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid?
The canonical SMILES for 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid is CC(=O)N1CCCC1C(=O)Nc1ccc2c(c1)c(=O)ccn2C(=O)O.
What is the InChIKey of 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid?
The InChIKey is KZACFIDYFBFYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-10(21)19-7-2-3-14(19)16(23)18-11-4-5-13-12(9-11)15(22)6-8-20(13)17(24)25/h4-6,8-9,14H,2-3,7H2,1H3,(H,18,23)(H,24,25).
What are the key properties of 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid?
6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid has a molecular weight of 343.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-oxoquinoline-1-carboxylic acid is sourced from PubChem (CID 20503430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).