1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

C15H18N2O3 — CID 63007267

IUPAC1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCNC1
InChIInChI=1S/C15H18N2O3/c18-14(10-6-7-16-9-10)17-8-2-4-11-12(15(19)20)3-1-5-13(11)17/h1,3,5,10,16H,2,4,6-9H2,(H,19,20)
InChIKeyPHBBAOPFWAUSHY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.27
Rot. Bonds2

About 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (PubChem CID 63007267) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
PubChem CID63007267
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
SMILESO=C(O)c1cccc2c1CCCN2C(=O)C1CCNC1
InChIInChI=1S/C15H18N2O3/c18-14(10-6-7-16-9-10)17-8-2-4-11-12(15(19)20)3-1-5-13(11)17/h1,3,5,10,16H,2,4,6-9H2,(H,19,20)
InChIKeyPHBBAOPFWAUSHY-UHFFFAOYSA-N
XLogP1.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
1-[(2S)-piperidine-2-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 104913606
(4-phenyl-2,3-dihydroindol-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 174921124
1-(5-oxopyrrolidine-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 60832350
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-[2-(azetidin-3-yl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 64611406
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119889173
(1-benzyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119891426
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
(6-phenyl-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone
CID 175322800

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid (CID 63007267) is 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is O=C(O)c1cccc2c1CCCN2C(=O)C1CCNC1.
What is the InChIKey of 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
The InChIKey is PHBBAOPFWAUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(10-6-7-16-9-10)17-8-2-4-11-12(15(19)20)3-1-5-13(11)17/h1,3,5,10,16H,2,4,6-9H2,(H,19,20).
What are the key properties of 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid?
1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 63007267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).