2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide

C17H21N3O — CID 64824839

IUPAC2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)C3CCCCC3N)c2n1
InChIInChI=1S/C17H21N3O/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17(21)13-6-2-3-7-14(13)18/h4-5,8-10,13-14H,2-3,6-7,18H2,1H3,(H,20,21)
InChIKeyMWTIEQOBXROUBE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.00
Rot. Bonds2

About 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide

2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide (PubChem CID 64824839) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide
PubChem CID64824839
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide
SMILESCc1ccc2cccc(NC(=O)C3CCCCC3N)c2n1
InChIInChI=1S/C17H21N3O/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17(21)13-6-2-3-7-14(13)18/h4-5,8-10,13-14H,2-3,6-7,18H2,1H3,(H,20,21)
InChIKeyMWTIEQOBXROUBE-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide
CID 172895408
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid
CID 64851456
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
methyl 2-[(2-aminocyclohexanecarbonyl)amino]benzoate
CID 64822923
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
2-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 64823330

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide (CID 64824839) is 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide is Cc1ccc2cccc(NC(=O)C3CCCCC3N)c2n1.
What is the InChIKey of 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide?
The InChIKey is MWTIEQOBXROUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-9-10-12-5-4-8-15(16(12)19-11)20-17(21)13-6-2-3-7-14(13)18/h4-5,8-10,13-14H,2-3,6-7,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide?
2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylquinolin-8-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64824839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).