2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide

C19H23FN2O2 — CID 111470297

IUPAC2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H23FN2O2/c1-11(7-12(2)23)10-21-19(24)16-9-18(13-3-4-13)22-17-6-5-14(20)8-15(16)17/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,21,24)
InChIKeyFEPNIBMVDSHAGI-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.39
Rot. Bonds6

About 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide (PubChem CID 111470297) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
PubChem CID111470297
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C19H23FN2O2/c1-11(7-12(2)23)10-21-19(24)16-9-18(13-3-4-13)22-17-6-5-14(20)8-15(16)17/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,21,24)
InChIKeyFEPNIBMVDSHAGI-UHFFFAOYSA-N
XLogP3.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
7-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]heptanoic acid
CID 119350783
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978
N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119582736
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
3-[(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120525811

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide (CID 111470297) is 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide is CC(O)CC(C)CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide?
The InChIKey is FEPNIBMVDSHAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-11(7-12(2)23)10-21-19(24)16-9-18(13-3-4-13)22-17-6-5-14(20)8-15(16)17/h5-6,8-9,11-13,23H,3-4,7,10H2,1-2H3,(H,21,24).
What are the key properties of 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide is sourced from PubChem (CID 111470297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).