cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide

C18H20N4O — CID 91287828

IUPACcis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc2cccc(NC(=O)[C@@H]3CCC[C@H](CN)C3)c2n1
InChIInChI=1S/C18H20N4O/c19-10-12-3-1-5-14(9-12)18(23)22-16-6-2-4-13-7-8-15(11-20)21-17(13)16/h2,4,6-8,12,14H,1,3,5,9-10,19H2,(H,22,23)/t12-,14+/m0/s1
InChIKeyIZNRYTLLTZJHDF-GXTWGEPZSA-N
MW308.38 g/mol
LogP2.81
Rot. Bonds3

About cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide

cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide (PubChem CID 91287828) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide
PubChem CID91287828
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Namecis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc2cccc(NC(=O)[C@@H]3CCC[C@H](CN)C3)c2n1
InChIInChI=1S/C18H20N4O/c19-10-12-3-1-5-14(9-12)18(23)22-16-6-2-4-13-7-8-15(11-20)21-17(13)16/h2,4,6-8,12,14H,1,3,5,9-10,19H2,(H,22,23)/t12-,14+/m0/s1
InChIKeyIZNRYTLLTZJHDF-GXTWGEPZSA-N
XLogP2.81
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide (CID 91287828) is cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide is N#Cc1ccc2cccc(NC(=O)[C@@H]3CCC[C@H](CN)C3)c2n1.
What is the InChIKey of cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide?
The InChIKey is IZNRYTLLTZJHDF-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H20N4O/c19-10-12-3-1-5-14(9-12)18(23)22-16-6-2-4-13-7-8-15(11-20)21-17(13)16/h2,4,6-8,12,14H,1,3,5,9-10,19H2,(H,22,23)/t12-,14+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide?
cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91287828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).