4-chloro-N-methoxy-N-methylquinoline-3-carboxamide

C12H11ClN2O2 — CID 86709600

IUPAC4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-15(17-2)12(16)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,1-2H3
InChIKeyCORPZHYSEHMBGP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide

4-chloro-N-methoxy-N-methylquinoline-3-carboxamide (PubChem CID 86709600) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
PubChem CID86709600
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-N-methoxy-N-methylquinoline-3-carboxamide
SMILESCON(C)C(=O)c1cnc2ccccc2c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-15(17-2)12(16)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,1-2H3
InChIKeyCORPZHYSEHMBGP-UHFFFAOYSA-N
XLogP2.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
N-methoxy-N-methyl-2-phosphanylquinoline-4-carboxamide
CID 135294171
4-chloro-N-(2-hydroxyethyl)quinoline-3-carboxamide
CID 44590767
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]quinoline-3-carboxamide
CID 44590733
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
4-chloro-3-fluoroquinoline
CID 22284824
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
5-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 59108636
5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86715759
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide?
The IUPAC name of 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide (CID 86709600) is 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide.
What is the SMILES notation for 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide?
The canonical SMILES for 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide is CON(C)C(=O)c1cnc2ccccc2c1Cl.
What is the InChIKey of 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide?
The InChIKey is CORPZHYSEHMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15(17-2)12(16)9-7-14-10-6-4-3-5-8(10)11(9)13/h3-7H,1-2H3.
What are the key properties of 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide?
4-chloro-N-methoxy-N-methylquinoline-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methoxy-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 86709600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).