6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one

C16H16ClN3O — CID 89440799

IUPAC6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(CN)c3)cc(Cl)c21
InChIInChI=1S/C16H16ClN3O/c1-20-15(21)3-2-11-5-12(6-14(17)16(11)20)13-4-10(7-18)8-19-9-13/h4-6,8-9H,2-3,7,18H2,1H3
InChIKeyMBGYZGHIWJOQMY-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.77
Rot. Bonds2

About 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one

6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 89440799) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID89440799
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(-c3cncc(CN)c3)cc(Cl)c21
InChIInChI=1S/C16H16ClN3O/c1-20-15(21)3-2-11-5-12(6-14(17)16(11)20)13-4-10(7-18)8-19-9-13/h4-6,8-9H,2-3,7,18H2,1H3
InChIKeyMBGYZGHIWJOQMY-UHFFFAOYSA-N
XLogP2.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[5-(aminomethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146216604
6-[5-(aminomethyl)-3-pyridinyl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 89440497
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
N-[(8R)-4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537630
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
8-[5-[(6-chloro-2-pyridinyl)oxymethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 139462704
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 155023513
N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 78320873
1-methyl-8-[5-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 139462720
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 151905560

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one (CID 89440799) is 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(-c3cncc(CN)c3)cc(Cl)c21.
What is the InChIKey of 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is MBGYZGHIWJOQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20-15(21)3-2-11-5-12(6-14(17)16(11)20)13-4-10(7-18)8-19-9-13/h4-6,8-9H,2-3,7,18H2,1H3.
What are the key properties of 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 301.78 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(aminomethyl)-3-pyridinyl]-8-chloro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89440799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).