1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide

C23H23FN2O2 — CID 166424608

IUPAC1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide
SMILESC=CC(=O)N1CC(NC(=O)C2(c3ccc(C)cc3F)CC2)Cc2ccccc21
InChIInChI=1S/C23H23FN2O2/c1-3-21(27)26-14-17(13-16-6-4-5-7-20(16)26)25-22(28)23(10-11-23)18-9-8-15(2)12-19(18)24/h3-9,12,17H,1,10-11,13-14H2,2H3,(H,25,28)
InChIKeyHTGWYECYFFMPGG-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.43
Rot. Bonds4

About 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide

1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide (PubChem CID 166424608) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide
PubChem CID166424608
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide
SMILESC=CC(=O)N1CC(NC(=O)C2(c3ccc(C)cc3F)CC2)Cc2ccccc21
InChIInChI=1S/C23H23FN2O2/c1-3-21(27)26-14-17(13-16-6-4-5-7-20(16)26)25-22(28)23(10-11-23)18-9-8-15(2)12-19(18)24/h3-9,12,17H,1,10-11,13-14H2,2H3,(H,25,28)
InChIKeyHTGWYECYFFMPGG-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide (CID 166424608) is 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide is C=CC(=O)N1CC(NC(=O)C2(c3ccc(C)cc3F)CC2)Cc2ccccc21.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is HTGWYECYFFMPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-3-21(27)26-14-17(13-16-6-4-5-7-20(16)26)25-22(28)23(10-11-23)18-9-8-15(2)12-19(18)24/h3-9,12,17H,1,10-11,13-14H2,2H3,(H,25,28).
What are the key properties of 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide?
1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-N-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166424608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).