N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide

C26H24ClFN2O3 — CID 21093154

IUPACN-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(O)cc21
InChIInChI=1S/C26H24ClFN2O3/c1-3-25(32)30(20-10-6-18(27)7-11-20)24-14-16(2)29(23-13-12-21(31)15-22(23)24)26(33)17-4-8-19(28)9-5-17/h4-13,15-16,24,31H,3,14H2,1-2H3/t16-,24+/m1/s1
InChIKeyBVPSBDGBAVBEBT-GYCJOSAFSA-N
MW466.94 g/mol
LogP6.11
Rot. Bonds4

About N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide

N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (PubChem CID 21093154) has the molecular formula C26H24ClFN2O3 and a molecular weight of 466.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
PubChem CID21093154
Molecular FormulaC26H24ClFN2O3
Molecular Weight466.94 g/mol
Exact Mass466.15
IUPAC NameN-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(O)cc21
InChIInChI=1S/C26H24ClFN2O3/c1-3-25(32)30(20-10-6-18(27)7-11-20)24-14-16(2)29(23-13-12-21(31)15-22(23)24)26(33)17-4-8-19(28)9-5-17/h4-13,15-16,24,31H,3,14H2,1-2H3/t16-,24+/m1/s1
InChIKeyBVPSBDGBAVBEBT-GYCJOSAFSA-N
XLogP6.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (CID 21093154) is N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is CCC(=O)N(c1ccc(Cl)cc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(O)cc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The InChIKey is BVPSBDGBAVBEBT-GYCJOSAFSA-N. The full InChI is InChI=1S/C26H24ClFN2O3/c1-3-25(32)30(20-10-6-18(27)7-11-20)24-14-16(2)29(23-13-12-21(31)15-22(23)24)26(33)17-4-8-19(28)9-5-17/h4-13,15-16,24,31H,3,14H2,1-2H3/t16-,24+/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide has a molecular weight of 466.94 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is sourced from PubChem (CID 21093154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).