(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone

C17H24N2O — CID 106828103

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCc3c(N)cccc32)CCCCC1
InChIInChI=1S/C17H24N2O/c1-17(10-3-2-4-11-17)16(20)19-12-6-7-13-14(18)8-5-9-15(13)19/h5,8-9H,2-4,6-7,10-12,18H2,1H3
InChIKeyYVXWQWBIXJHSGB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds1

About (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone (PubChem CID 106828103) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
PubChem CID106828103
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone
SMILESCC1(C(=O)N2CCCc3c(N)cccc32)CCCCC1
InChIInChI=1S/C17H24N2O/c1-17(10-3-2-4-11-17)16(20)19-12-6-7-13-14(18)8-5-9-15(13)19/h5,8-9H,2-4,6-7,10-12,18H2,1H3
InChIKeyYVXWQWBIXJHSGB-UHFFFAOYSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone (CID 106828103) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone is CC1(C(=O)N2CCCc3c(N)cccc32)CCCCC1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone?
The InChIKey is YVXWQWBIXJHSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(10-3-2-4-11-17)16(20)19-12-6-7-13-14(18)8-5-9-15(13)19/h5,8-9H,2-4,6-7,10-12,18H2,1H3.
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 106828103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).