2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride

C16H16ClN3O — CID 102567101

IUPAC2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride
SMILESCc1[nH]c2ccccc2c(=O)c1CNc1ccccn1.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11;/h2-9H,10H2,1H3,(H,17,18)(H,19,20);1H
InChIKeyMCVUKEKFMAXLBV-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride

2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride (PubChem CID 102567101) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride
PubChem CID102567101
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride
SMILESCc1[nH]c2ccccc2c(=O)c1CNc1ccccn1.Cl
InChIInChI=1S/C16H15N3O.ClH/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11;/h2-9H,10H2,1H3,(H,17,18)(H,19,20);1H
InChIKeyMCVUKEKFMAXLBV-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one
CID 99977936
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
CID 45093433
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
ethyl 2-(2-methyl-4-oxo-1H-quinolin-3-yl)acetate
CID 70807104
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238
N-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]aniline
CID 58087269
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595
3-hydroxy-2-methyl-1H-quinolin-4-one;quinoline
CID 170553291
3-[[benzyl(ethyl)amino]methyl]-2-methyl-1H-quinolin-4-one
CID 1178704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride?
The IUPAC name of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride (CID 102567101) is 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride.
What is the SMILES notation for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride?
The canonical SMILES for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride is Cc1[nH]c2ccccc2c(=O)c1CNc1ccccn1.Cl.
What is the InChIKey of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride?
The InChIKey is MCVUKEKFMAXLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.ClH/c1-11-13(10-18-15-8-4-5-9-17-15)16(20)12-6-2-3-7-14(12)19-11;/h2-9H,10H2,1H3,(H,17,18)(H,19,20);1H.
What are the key properties of 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride?
2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride has a molecular weight of 301.78 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(pyridin-2-ylamino)methyl]-1H-quinolin-4-one;hydrochloride is sourced from PubChem (CID 102567101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).