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

C15H22N2O — CID 82479600

IUPAC6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NC(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O/c1-10(2)16-11(3)8-12-4-6-14-13(9-12)5-7-15(18)17-14/h4,6,9-11,16H,5,7-8H2,1-3H3,(H,17,18)
InChIKeyOBDGABSMBILJKQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.50
Rot. Bonds4

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

6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82479600) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82479600
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)NC(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O/c1-10(2)16-11(3)8-12-4-6-14-13(9-12)5-7-15(18)17-14/h4,6,9-11,16H,5,7-8H2,1-3H3,(H,17,18)
InChIKeyOBDGABSMBILJKQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
3-amino-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
CID 82480198
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
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
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one (CID 82479600) is 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one is CC(C)NC(C)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OBDGABSMBILJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-11(3)8-12-4-6-14-13(9-12)5-7-15(18)17-14/h4,6,9-11,16H,5,7-8H2,1-3H3,(H,17,18).
What are the key properties of 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82479600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).