1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide

C16H21N3O2 — CID 162453178

IUPAC1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C1CCC(N)CC1)C(=O)CC2
InChIInChI=1S/C16H21N3O2/c17-12-4-6-13(7-5-12)19-14-9-11(16(18)21)2-1-10(14)3-8-15(19)20/h1-2,9,12-13H,3-8,17H2,(H2,18,21)
InChIKeyQCGIYYXNYPTENN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.33
Rot. Bonds2

About 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide

1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide (PubChem CID 162453178) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide
PubChem CID162453178
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)N(C1CCC(N)CC1)C(=O)CC2
InChIInChI=1S/C16H21N3O2/c17-12-4-6-13(7-5-12)19-14-9-11(16(18)21)2-1-10(14)3-8-15(19)20/h1-2,9,12-13H,3-8,17H2,(H2,18,21)
InChIKeyQCGIYYXNYPTENN-UHFFFAOYSA-N
XLogP1.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide (CID 162453178) is 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide is NC(=O)c1ccc2c(c1)N(C1CCC(N)CC1)C(=O)CC2.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide?
The InChIKey is QCGIYYXNYPTENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-4-6-13(7-5-12)19-14-9-11(16(18)21)2-1-10(14)3-8-15(19)20/h1-2,9,12-13H,3-8,17H2,(H2,18,21).
What are the key properties of 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide?
1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-oxo-3,4-dihydroquinoline-7-carboxamide is sourced from PubChem (CID 162453178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).