1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide

C16H19N3O — CID 43704712

IUPAC1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C16H19N3O/c17-16(8-4-1-5-9-16)15(20)19-13-10-12-6-2-3-7-14(12)18-11-13/h2-3,6-7,10-11H,1,4-5,8-9,17H2,(H,19,20)
InChIKeyDISLEGCXGOJWHY-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds2

About 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide

1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide (PubChem CID 43704712) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
PubChem CID43704712
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1
InChIInChI=1S/C16H19N3O/c17-16(8-4-1-5-9-16)15(20)19-13-10-12-6-2-3-7-14(12)18-11-13/h2-3,6-7,10-11H,1,4-5,8-9,17H2,(H,19,20)
InChIKeyDISLEGCXGOJWHY-UHFFFAOYSA-N
XLogP2.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide (CID 43704712) is 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide is NC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide?
The InChIKey is DISLEGCXGOJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-16(8-4-1-5-9-16)15(20)19-13-10-12-6-2-3-7-14(12)18-11-13/h2-3,6-7,10-11H,1,4-5,8-9,17H2,(H,19,20).
What are the key properties of 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide?
1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 43704712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).