N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide

C27H27FN2O2 — CID 21093065

IUPACN-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H27FN2O2/c1-4-26(31)30(22-15-9-18(2)10-16-22)25-17-19(3)29(24-8-6-5-7-23(24)25)27(32)20-11-13-21(28)14-12-20/h5-16,19,25H,4,17H2,1-3H3/t19-,25+/m1/s1
InChIKeyFZDWKGCZNDSQNS-CLOONOSVSA-N
MW430.52 g/mol
LogP6.06
Rot. Bonds4

About N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide

N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide (PubChem CID 21093065) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
PubChem CID21093065
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC NameN-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
SMILESCCC(=O)N(c1ccc(C)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C27H27FN2O2/c1-4-26(31)30(22-15-9-18(2)10-16-22)25-17-19(3)29(24-8-6-5-7-23(24)25)27(32)20-11-13-21(28)14-12-20/h5-16,19,25H,4,17H2,1-3H3/t19-,25+/m1/s1
InChIKeyFZDWKGCZNDSQNS-CLOONOSVSA-N
XLogP6.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.52
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide?
The IUPAC name of N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide (CID 21093065) is N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide is CCC(=O)N(c1ccc(C)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide?
The InChIKey is FZDWKGCZNDSQNS-CLOONOSVSA-N. The full InChI is InChI=1S/C27H27FN2O2/c1-4-26(31)30(22-15-9-18(2)10-16-22)25-17-19(3)29(24-8-6-5-7-23(24)25)27(32)20-11-13-21(28)14-12-20/h5-16,19,25H,4,17H2,1-3H3/t19-,25+/m1/s1.
What are the key properties of N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide?
N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide has a molecular weight of 430.52 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 21093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).