4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide

C17H21N3O — CID 61042772

IUPAC4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21N3O/c18-17(21)13-4-6-15(7-5-13)20-11-12-3-8-16-14(10-12)2-1-9-19-16/h1-3,8-10,13,15,20H,4-7,11H2,(H2,18,21)
InChIKeyARVVKXWCZYHFIS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.37
Rot. Bonds4

About 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide

4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 61042772) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID61042772
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21N3O/c18-17(21)13-4-6-15(7-5-13)20-11-12-3-8-16-14(10-12)2-1-9-19-16/h1-3,8-10,13,15,20H,4-7,11H2,(H2,18,21)
InChIKeyARVVKXWCZYHFIS-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-6-ylmethyl)thian-4-amine
CID 115615624
N-(quinolin-7-ylmethyl)cyclopropanamine
CID 78921001
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
tert-butyl 3-(quinolin-6-ylmethylamino)azetidine-1-carboxylate
CID 103748619
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
cyclopropyl-[3-ethyl-4-(quinolin-6-ylmethylamino)piperidin-1-yl]methanone
CID 71927362
2-methyl-N-(quinolin-6-ylmethyl)cyclohexan-1-amine
CID 43183350
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
4-[[4-(difluoromethyl)phenyl]methylamino]cyclohexane-1-carboxamide
CID 115523776
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide (CID 61042772) is 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is ARVVKXWCZYHFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-17(21)13-4-6-15(7-5-13)20-11-12-3-8-16-14(10-12)2-1-9-19-16/h1-3,8-10,13,15,20H,4-7,11H2,(H2,18,21).
What are the key properties of 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide?
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 61042772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).