6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C16H17N3O — CID 104749401

IUPAC6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C16H17N3O/c1-11-2-3-12(9-17-11)10-18-14-5-6-15-13(8-14)4-7-16(20)19-15/h2-3,5-6,8-9,18H,4,7,10H2,1H3,(H,19,20)
InChIKeyZSWMRBNKITVNLH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.89
Rot. Bonds3

About 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 104749401) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID104749401
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C16H17N3O/c1-11-2-3-12(9-17-11)10-18-14-5-6-15-13(8-14)4-7-16(20)19-15/h2-3,5-6,8-9,18H,4,7,10H2,1H3,(H,19,20)
InChIKeyZSWMRBNKITVNLH-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910
6-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 103817912
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
6-[(5-bromothiophen-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737971
6-[(2,4-dihydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737966
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512

Frequently Asked Questions

What is the IUPAC name of 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 104749401) is 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(CNc2ccc3c(c2)CCC(=O)N3)cn1.
What is the InChIKey of 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZSWMRBNKITVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-2-3-12(9-17-11)10-18-14-5-6-15-13(8-14)4-7-16(20)19-15/h2-3,5-6,8-9,18H,4,7,10H2,1H3,(H,19,20).
What are the key properties of 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 104749401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).