6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C19H23N3O — CID 89439862

IUPAC6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C)C(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C19H23N3O/c1-12(2)19(20)16-9-15(10-21-11-16)13-4-6-17-14(8-13)5-7-18(23)22(17)3/h4,6,8-12,19H,5,7,20H2,1-3H3
InChIKeyJVWDLTBQILIYSN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.31
Rot. Bonds3

About 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 89439862) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID89439862
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCC(C)C(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C19H23N3O/c1-12(2)19(20)16-9-15(10-21-11-16)13-4-6-17-14(8-13)5-7-18(23)22(17)3/h4,6,8-12,19H,5,7,20H2,1-3H3
InChIKeyJVWDLTBQILIYSN-UHFFFAOYSA-N
XLogP3.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(1-aminoethyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one;methane;hydrochloride
CID 159930466
1-methyl-6-[5-[1-(methylamino)ethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146216610
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]ethanesulfinamide
CID 146605053
1-cyclopropyl-1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]propane-2-sulfonamide
CID 172758402
6-[5-[(3-chloro-2-pyridinyl)-sulfanylmethyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 118619949
2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
CID 123991591
6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
3,5-dimethyl-N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]ethyl]-1,2-oxazole-4-carboxamide;methane
CID 159961795
6-[5-[[ethylsulfanyl(propan-2-yl)amino]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 146605081
1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
1-methyl-6-[5-[3-(methylamino)oxetan-3-yl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 146229350

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 89439862) is 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CC(C)C(N)c1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is JVWDLTBQILIYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12(2)19(20)16-9-15(10-21-11-16)13-4-6-17-14(8-13)5-7-18(23)22(17)3/h4,6,8-12,19H,5,7,20H2,1-3H3.
What are the key properties of 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-amino-2-methylpropyl)-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 89439862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).