8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide

C13H14ClN3O — CID 53016644

IUPAC8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C13H14ClN3O/c1-15-11-7-9(13(18)17(2)3)8-5-4-6-10(14)12(8)16-11/h4-7H,1-3H3,(H,15,16)
InChIKeyNNZPPOXOOUCUBU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.63
Rot. Bonds2

About 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide

8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide (PubChem CID 53016644) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
PubChem CID53016644
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
SMILESCNc1cc(C(=O)N(C)C)c2cccc(Cl)c2n1
InChIInChI=1S/C13H14ClN3O/c1-15-11-7-9(13(18)17(2)3)8-5-4-6-10(14)12(8)16-11/h4-7H,1-3H3,(H,15,16)
InChIKeyNNZPPOXOOUCUBU-UHFFFAOYSA-N
XLogP2.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N,N-diethyl-2-methylquinoline-4-carboxamide
CID 110489310
8-chloro-N-(2-hydroxyethyl)-N,2-dimethylquinoline-4-carboxamide
CID 110489307
8-chloro-2-(dimethylamino)-N-propan-2-ylquinoline-4-carboxamide
CID 53016674
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
N-methyl-2-(methylamino)-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 62179851
1-(8-chloro-2-propan-2-ylquinolin-4-yl)ethanone
CID 82448971
N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607
2-amino-3-chloro-N,N-dimethylbenzamide
CID 68799362
2-tert-butyl-8-chloroquinoline-4-carbohydrazide
CID 82449002
2-carbamoyl-8-chloroquinoline-4-carboxylic acid
CID 118172273
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62169240

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide (CID 53016644) is 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide is CNc1cc(C(=O)N(C)C)c2cccc(Cl)c2n1.
What is the InChIKey of 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is NNZPPOXOOUCUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-15-11-7-9(13(18)17(2)3)8-5-4-6-10(14)12(8)16-11/h4-7H,1-3H3,(H,15,16).
What are the key properties of 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide?
8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 53016644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).