4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide

C17H21ClN2O — CID 65038366

IUPAC4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C17H21ClN2O/c1-4-17(5-2,6-3)20-16(21)15-11-13(18)12-9-7-8-10-14(12)19-15/h7-11H,4-6H2,1-3H3,(H,20,21)
InChIKeyVDAWWRBWDGVALR-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.59
Rot. Bonds5

About 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide

4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide (PubChem CID 65038366) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
PubChem CID65038366
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C17H21ClN2O/c1-4-17(5-2,6-3)20-16(21)15-11-13(18)12-9-7-8-10-14(12)19-15/h7-11H,4-6H2,1-3H3,(H,20,21)
InChIKeyVDAWWRBWDGVALR-UHFFFAOYSA-N
XLogP4.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)quinoline-2-carboxamide
CID 106166848
N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
2-[(4-chloroquinoline-2-carbonyl)amino]oxyacetic acid
CID 63914484
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]quinoline-2-carboxamide
CID 79249088
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
(2R)-2-[(4-chloroquinoline-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide (CID 65038366) is 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide is CCC(CC)(CC)NC(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide?
The InChIKey is VDAWWRBWDGVALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-17(5-2,6-3)20-16(21)15-11-13(18)12-9-7-8-10-14(12)19-15/h7-11H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide?
4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide has a molecular weight of 304.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-ethylpentan-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 65038366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).