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

C13H18N2O — CID 82285548

IUPAC6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9(2)14-8-10-3-5-12-11(7-10)4-6-13(16)15-12/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyQLMJDXMRWCJCDP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.07
Rot. Bonds3

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

6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82285548) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82285548
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9(2)14-8-10-3-5-12-11(7-10)4-6-13(16)15-12/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,15,16)
InChIKeyQLMJDXMRWCJCDP-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]pentanamide
CID 58615250
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 82479600
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
2-amino-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 82496063
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
N'-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]oxamide
CID 115191821
6-[[(2-amino-3-hydroxypropyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120551

Frequently Asked Questions

What is the IUPAC name of 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 82285548) is 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is CC(C)NCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QLMJDXMRWCJCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)14-8-10-3-5-12-11(7-10)4-6-13(16)15-12/h3,5,7,9,14H,4,6,8H2,1-2H3,(H,15,16).
What are the key properties of 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82285548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).