(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

C19H24N2O2 — CID 11461116

IUPAC(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1N
InChIInChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)
InChIKeySWTAQIBKNCOQHJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.77
Rot. Bonds4

About (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone

(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (PubChem CID 11461116) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.

Molecular Properties

Compound Name(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
PubChem CID11461116
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
SMILESCCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1N
InChIInChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)
InChIKeySWTAQIBKNCOQHJ-UHFFFAOYSA-N
XLogP3.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The IUPAC name of (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone (CID 11461116) is (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone.
What is the SMILES notation for (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The canonical SMILES for (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is CCc1cc2cc(C(=O)C3CCC(OC)CC3)ccc2nc1N.
What is the InChIKey of (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
The InChIKey is SWTAQIBKNCOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21).
What are the key properties of (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone?
(2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-ethylquinolin-6-yl)-(4-methoxycyclohexyl)methanone is sourced from PubChem (CID 11461116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).