N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide

C16H21N3O2 — CID 149312118

IUPACN-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)CC(=O)CN3)CC1
InChIInChI=1S/C16H21N3O2/c17-12-2-4-13(5-3-12)19-16(21)10-1-6-15-11(7-10)8-14(20)9-18-15/h1,6-7,12-13,18H,2-5,8-9,17H2,(H,19,21)
InChIKeyXYURXVGIKSHFJP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.22
Rot. Bonds2

About N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide

N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 149312118) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID149312118
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide
SMILESNC1CCC(NC(=O)c2ccc3c(c2)CC(=O)CN3)CC1
InChIInChI=1S/C16H21N3O2/c17-12-2-4-13(5-3-12)19-16(21)10-1-6-15-11(7-10)8-14(20)9-18-15/h1,6-7,12-13,18H,2-5,8-9,17H2,(H,19,21)
InChIKeyXYURXVGIKSHFJP-UHFFFAOYSA-N
XLogP1.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide (CID 149312118) is N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide is NC1CCC(NC(=O)c2ccc3c(c2)CC(=O)CN3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is XYURXVGIKSHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-12-2-4-13(5-3-12)19-16(21)10-1-6-15-11(7-10)8-14(20)9-18-15/h1,6-7,12-13,18H,2-5,8-9,17H2,(H,19,21).
What are the key properties of N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide?
N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-oxo-2,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 149312118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).