2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride

C15H20ClN3O2 — CID 119803749

IUPAC2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-10(8-16-2)15(20)17-9-11-7-14(19)18-13-6-4-3-5-12(11)13;/h3-7,10,16H,8-9H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyLQOHMMMCSMCXRF-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119803749) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
PubChem CID119803749
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1cc(=O)[nH]c2ccccc12.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-10(8-16-2)15(20)17-9-11-7-14(19)18-13-6-4-3-5-12(11)13;/h3-7,10,16H,8-9H2,1-2H3,(H,17,20)(H,18,19);1H
InChIKeyLQOHMMMCSMCXRF-UHFFFAOYSA-N
XLogP1.42
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
4-(aminomethyl)-1H-quinolin-2-one;hydrochloride
CID 54595267
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride (CID 119803749) is 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)NCc1cc(=O)[nH]c2ccccc12.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is LQOHMMMCSMCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-10(8-16-2)15(20)17-9-11-7-14(19)18-13-6-4-3-5-12(11)13;/h3-7,10,16H,8-9H2,1-2H3,(H,17,20)(H,18,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119803749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).