4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide

C15H16ClN3O2 — CID 63375816

IUPAC4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H16ClN3O2/c1-9(2)18-14(20)8-17-15(21)13-7-11(16)10-5-3-4-6-12(10)19-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPWARRHDTZJYDDM-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.14
Rot. Bonds4

About 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide

4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide (PubChem CID 63375816) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
PubChem CID63375816
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C15H16ClN3O2/c1-9(2)18-14(20)8-17-15(21)13-7-11(16)10-5-3-4-6-12(10)19-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyPWARRHDTZJYDDM-UHFFFAOYSA-N
XLogP2.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
CID 65038366
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
2-[(4-chloroquinoline-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 63376246
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide (CID 63375816) is 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide is CC(C)NC(=O)CNC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide?
The InChIKey is PWARRHDTZJYDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9(2)18-14(20)8-17-15(21)13-7-11(16)10-5-3-4-6-12(10)19-13/h3-7,9H,8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide?
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 63375816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).