2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide

C15H18ClN3O — CID 154839535

IUPAC2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-4-19(3)15(20)10(2)18-14-7-8-17-13-6-5-11(16)9-12(13)14/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyTYTJMOOLMTXZOQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.17
Rot. Bonds4

About 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide

2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 154839535) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
PubChem CID154839535
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C15H18ClN3O/c1-4-19(3)15(20)10(2)18-14-7-8-17-13-6-5-11(16)9-12(13)14/h5-10H,4H2,1-3H3,(H,17,18)
InChIKeyTYTJMOOLMTXZOQ-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103111680
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035
6-chloro-N-methylquinolin-4-amine
CID 62192062
2-[(6-methylquinolin-4-yl)amino]propanoic acid
CID 83840397
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
2-[(3-amino-5-chloro-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103106676
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286
(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
CID 122049854
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide (CID 154839535) is 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccnc2ccc(Cl)cc12.
What is the InChIKey of 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is TYTJMOOLMTXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-19(3)15(20)10(2)18-14-7-8-17-13-6-5-11(16)9-12(13)14/h5-10H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide?
2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 154839535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).