7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide

C19H23FN2O2 — CID 110003775

IUPAC7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCCC2O)c2ccc(F)cc2n1
InChIInChI=1S/C19H23FN2O2/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23/h7-10,13,18,23H,3-6,11H2,1-2H3
InChIKeyJBIWRRZTOMKJAE-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.31
Rot. Bonds3

About 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide

7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide (PubChem CID 110003775) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
PubChem CID110003775
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CCCCC2O)c2ccc(F)cc2n1
InChIInChI=1S/C19H23FN2O2/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23/h7-10,13,18,23H,3-6,11H2,1-2H3
InChIKeyJBIWRRZTOMKJAE-UHFFFAOYSA-N
XLogP3.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide (CID 110003775) is 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)CC2CCCCC2O)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is JBIWRRZTOMKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-12-9-16(15-8-7-14(20)10-17(15)21-12)19(24)22(2)11-13-5-3-4-6-18(13)23/h7-10,13,18,23H,3-6,11H2,1-2H3.
What are the key properties of 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide?
7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 110003775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).