6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one

C14H20N2O — CID 43737958

IUPAC6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-15-12-4-5-13-11(9-12)3-6-14(17)16-13/h4-5,9-10,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyUNYCJWXZAYMSAC-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.03
Rot. Bonds4

About 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one

6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43737958) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43737958
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)CCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H20N2O/c1-10(2)7-8-15-12-4-5-13-11(9-12)3-6-14(17)16-13/h4-5,9-10,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyUNYCJWXZAYMSAC-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115205137
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
6-(1-methylsulfonylpropan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 64629940
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
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,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-[1-(4-hydroxyphenyl)ethylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43737991

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one (CID 43737958) is 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one is CC(C)CCNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UNYCJWXZAYMSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)7-8-15-12-4-5-13-11(9-12)3-6-14(17)16-13/h4-5,9-10,15H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one?
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 232.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43737958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).