3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide

C18H23N3O2 — CID 86224750

IUPAC3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCOc1cnc2cccc(NC(=O)C3CCCC(CN)C3)c2c1
InChIInChI=1S/C18H23N3O2/c1-23-14-9-15-16(20-11-14)6-3-7-17(15)21-18(22)13-5-2-4-12(8-13)10-19/h3,6-7,9,11-13H,2,4-5,8,10,19H2,1H3,(H,21,22)
InChIKeyLQSRUFGSKSTCLH-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds4

About 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide (PubChem CID 86224750) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
PubChem CID86224750
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCOc1cnc2cccc(NC(=O)C3CCCC(CN)C3)c2c1
InChIInChI=1S/C18H23N3O2/c1-23-14-9-15-16(20-11-14)6-3-7-17(15)21-18(22)13-5-2-4-12(8-13)10-19/h3,6-7,9,11-13H,2,4-5,8,10,19H2,1H3,(H,21,22)
InChIKeyLQSRUFGSKSTCLH-UHFFFAOYSA-N
XLogP2.95
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyquinolin-5-yl)-3-[[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]methyl]cyclohexane-1-carboxamide
CID 58989629
cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide
CID 91287828
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
1-(3-methoxyquinolin-5-yl)ethanone
CID 67065394
N-(2-amino-4-methoxyphenyl)cyclobutanecarboxamide
CID 16774141
4-amino-N-(3-methylcinnolin-5-yl)cyclohexane-1-carboxamide
CID 117073521
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471
N-(2-amino-5-methoxyphenyl)cyclobutanecarboxamide;hydrochloride
CID 119421373

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide (CID 86224750) is 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide is COc1cnc2cccc(NC(=O)C3CCCC(CN)C3)c2c1.
What is the InChIKey of 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is LQSRUFGSKSTCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-14-9-15-16(20-11-14)6-3-7-17(15)21-18(22)13-5-2-4-12(8-13)10-19/h3,6-7,9,11-13H,2,4-5,8,10,19H2,1H3,(H,21,22).
What are the key properties of 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(3-methoxyquinolin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86224750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).