4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride

C16H25ClN2O — CID 119286836

IUPAC4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-7-8-15-14(11-13)5-4-10-18(15)16(19)6-3-9-17;/h7-8,11-12H,3-6,9-10,17H2,1-2H3;1H
InChIKeyGMVVGPVXTFXXEK-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.25
Rot. Bonds4

About 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride

4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride (PubChem CID 119286836) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
PubChem CID119286836
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-7-8-15-14(11-13)5-4-10-18(15)16(19)6-3-9-17;/h7-8,11-12H,3-6,9-10,17H2,1-2H3;1H
InChIKeyGMVVGPVXTFXXEK-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride with MolForge

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Related Compounds

4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
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2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 55674009
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
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CID 87001063
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
1-[6-(4-aminobutyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 82260070
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
4-amino-1-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 167922199
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride (CID 119286836) is 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride is CC(C)c1ccc2c(c1)CCCN2C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride?
The InChIKey is GMVVGPVXTFXXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)13-7-8-15-14(11-13)5-4-10-18(15)16(19)6-3-9-17;/h7-8,11-12H,3-6,9-10,17H2,1-2H3;1H.
What are the key properties of 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride?
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119286836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).