N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide

C26H25ClN2O3 — CID 69466487

IUPACN-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1)[C@H]1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C26H25ClN2O3/c1-3-25(31)29(20-12-10-19(27)11-13-20)24-16-17(2)28(23-7-5-4-6-22(23)24)26(32)18-8-14-21(30)15-9-18/h4-15,17,24,30H,3,16H2,1-2H3/t17?,24-/m0/s1
InChIKeyZCBNGZUAQSUKBV-UCSBTNPJSA-N
MW448.95 g/mol
LogP5.97
Rot. Bonds4

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

N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (PubChem CID 69466487) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
PubChem CID69466487
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC NameN-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
SMILESCCC(=O)N(c1ccc(Cl)cc1)[C@H]1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21
InChIInChI=1S/C26H25ClN2O3/c1-3-25(31)29(20-12-10-19(27)11-13-20)24-16-17(2)28(23-7-5-4-6-22(23)24)26(32)18-8-14-21(30)15-9-18/h4-15,17,24,30H,3,16H2,1-2H3/t17?,24-/m0/s1
InChIKeyZCBNGZUAQSUKBV-UCSBTNPJSA-N
XLogP5.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.97
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-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide (CID 69466487) is N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is CCC(=O)N(c1ccc(Cl)cc1)[C@H]1CC(C)N(C(=O)c2ccc(O)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
The InChIKey is ZCBNGZUAQSUKBV-UCSBTNPJSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-3-25(31)29(20-12-10-19(27)11-13-20)24-16-17(2)28(23-7-5-4-6-22(23)24)26(32)18-8-14-21(30)15-9-18/h4-15,17,24,30H,3,16H2,1-2H3/t17?,24-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide?
N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide has a molecular weight of 448.95 g/mol, XLogP of 5.97, 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-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide is sourced from PubChem (CID 69466487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).