2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide

C14H15ClN2O2 — CID 104551638

IUPAC2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O2/c1-9(8-18)17(2)14(19)11-7-13(15)16-12-6-4-3-5-10(11)12/h3-7,9,18H,8H2,1-2H3
InChIKeyMDQUNZMQJOYCRQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.34
Rot. Bonds3

About 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide

2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide (PubChem CID 104551638) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
PubChem CID104551638
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O2/c1-9(8-18)17(2)14(19)11-7-13(15)16-12-6-4-3-5-10(11)12/h3-7,9,18H,8H2,1-2H3
InChIKeyMDQUNZMQJOYCRQ-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
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,N-dipropylquinoline-4-carboxamide
CID 11426314
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 39902798

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide (CID 104551638) is 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide is CC(CO)N(C)C(=O)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide?
The InChIKey is MDQUNZMQJOYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9(8-18)17(2)14(19)11-7-13(15)16-12-6-4-3-5-10(11)12/h3-7,9,18H,8H2,1-2H3.
What are the key properties of 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide?
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 104551638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).