2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

C15H18N2O3 — CID 18108766

IUPAC2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCC3CCCO3)ccc2N1
InChIInChI=1S/C15H18N2O3/c18-14-6-4-10-8-11(3-5-13(10)17-14)15(19)16-9-12-2-1-7-20-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyXHPDBUWEZCHTDT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.48
Rot. Bonds3

About 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18108766) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18108766
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCC3CCCO3)ccc2N1
InChIInChI=1S/C15H18N2O3/c18-14-6-4-10-8-11(3-5-13(10)17-14)15(19)16-9-12-2-1-7-20-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyXHPDBUWEZCHTDT-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(oxolan-2-ylmethyl)-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763952
2-oxo-N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119511328
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51078208
N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489055
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
6-[2-[[5-[[(2R)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-quinolin-2-one
CID 9292462
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18108766) is 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCC3CCCO3)ccc2N1.
What is the InChIKey of 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is XHPDBUWEZCHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-6-4-10-8-11(3-5-13(10)17-14)15(19)16-9-12-2-1-7-20-12/h3,5,8,12H,1-2,4,6-7,9H2,(H,16,19)(H,17,18).
What are the key properties of 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18108766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).