[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol

C17H17N3O — CID 61255834

IUPAC[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol
SMILESCN(Cc1cccnc1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-20(11-13-5-4-8-18-10-13)17-9-14(12-21)15-6-2-3-7-16(15)19-17/h2-10,21H,11-12H2,1H3
InChIKeyJKWDQSBJQHNNBJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds4

About [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol

[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol (PubChem CID 61255834) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol.

Molecular Properties

Compound Name[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol
PubChem CID61255834
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol
SMILESCN(Cc1cccnc1)c1cc(CO)c2ccccc2n1
InChIInChI=1S/C17H17N3O/c1-20(11-13-5-4-8-18-10-13)17-9-14(12-21)15-6-2-3-7-16(15)19-17/h2-10,21H,11-12H2,1H3
InChIKeyJKWDQSBJQHNNBJ-UHFFFAOYSA-N
XLogP2.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]methanol
CID 62254279
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]quinolin-4-yl]methanol
CID 61442554
[2-[2-methoxyethyl(methyl)amino]quinolin-4-yl]methanol
CID 61427550
[3-fluoro-2-[methyl(pyridin-3-ylmethyl)amino]phenyl]methanol
CID 114067410
[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473
N-methyl-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 115143872
[4,6-dimethyl-2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61256043
2-hydrazinyl-N,6-dimethyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80906105
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N,4,6-trimethyl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 78845350
[2-[cyclopentyl(methyl)amino]quinolin-4-yl]methanol
CID 61255815

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol?
The IUPAC name of [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol (CID 61255834) is [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol.
What is the SMILES notation for [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol?
The canonical SMILES for [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol is CN(Cc1cccnc1)c1cc(CO)c2ccccc2n1.
What is the InChIKey of [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol?
The InChIKey is JKWDQSBJQHNNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(11-13-5-4-8-18-10-13)17-9-14(12-21)15-6-2-3-7-16(15)19-17/h2-10,21H,11-12H2,1H3.
What are the key properties of [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol?
[2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol has a molecular weight of 279.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridin-3-ylmethyl)amino]quinolin-4-yl]methanol is sourced from PubChem (CID 61255834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).