2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide

C14H15ClN2O2 — CID 60655129

IUPAC2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
SMILESCCC(CO)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O2/c1-2-9(8-18)16-14(19)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9,18H,2,8H2,1H3,(H,16,19)
InChIKeyCQJJTBITIOPSIB-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.39
Rot. Bonds4

About 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide

2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide (PubChem CID 60655129) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
PubChem CID60655129
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
SMILESCCC(CO)NC(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O2/c1-2-9(8-18)16-14(19)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9,18H,2,8H2,1H3,(H,16,19)
InChIKeyCQJJTBITIOPSIB-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
CID 115903191
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009424
methyl 2-chloroquinoline-4-carboxylate
CID 5202936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide (CID 60655129) is 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide is CCC(CO)NC(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide?
The InChIKey is CQJJTBITIOPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-9(8-18)16-14(19)11-7-13(15)17-12-6-4-3-5-10(11)12/h3-7,9,18H,2,8H2,1H3,(H,16,19).
What are the key properties of 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide?
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 60655129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).