1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide

C17H20FN3O2 — CID 91502629

IUPAC1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1cc(F)c2nccc(NC(=O)C3(N)CCCCC3)c2c1
InChIInChI=1S/C17H20FN3O2/c1-23-11-9-12-14(5-8-20-15(12)13(18)10-11)21-16(22)17(19)6-3-2-4-7-17/h5,8-10H,2-4,6-7,19H2,1H3,(H,20,21,22)
InChIKeyVUOKBLWKPGRDMO-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.98
Rot. Bonds3

About 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide

1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide (PubChem CID 91502629) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide
PubChem CID91502629
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide
SMILESCOc1cc(F)c2nccc(NC(=O)C3(N)CCCCC3)c2c1
InChIInChI=1S/C17H20FN3O2/c1-23-11-9-12-14(5-8-20-15(12)13(18)10-11)21-16(22)17(19)6-3-2-4-7-17/h5,8-10H,2-4,6-7,19H2,1H3,(H,20,21,22)
InChIKeyVUOKBLWKPGRDMO-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide (CID 91502629) is 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide is COc1cc(F)c2nccc(NC(=O)C3(N)CCCCC3)c2c1.
What is the InChIKey of 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is VUOKBLWKPGRDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-11-9-12-14(5-8-20-15(12)13(18)10-11)21-16(22)17(19)6-3-2-4-7-17/h5,8-10H,2-4,6-7,19H2,1H3,(H,20,21,22).
What are the key properties of 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide?
1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(8-fluoro-6-methoxyquinolin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 91502629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).