N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C28H29ClN2O3 — CID 21092908

IUPACN-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)O)cc2)c2ccccc21
InChIInChI=1S/C28H29ClN2O3/c1-18-17-26(31(19(2)32)23-15-13-22(29)14-16-23)24-7-5-6-8-25(24)30(18)27(33)20-9-11-21(12-10-20)28(3,4)34/h5-16,18,26,34H,17H2,1-4H3
InChIKeyNJJBSESFJVYGTC-UHFFFAOYSA-N
MW477.00 g/mol
LogP6.10
Rot. Bonds4

About N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 21092908) has the molecular formula C28H29ClN2O3 and a molecular weight of 477.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID21092908
Molecular FormulaC28H29ClN2O3
Molecular Weight477.00 g/mol
Exact Mass476.19
IUPAC NameN-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)O)cc2)c2ccccc21
InChIInChI=1S/C28H29ClN2O3/c1-18-17-26(31(19(2)32)23-15-13-22(29)14-16-23)24-7-5-6-8-25(24)30(18)27(33)20-9-11-21(12-10-20)28(3,4)34/h5-16,18,26,34H,17H2,1-4H3
InChIKeyNJJBSESFJVYGTC-UHFFFAOYSA-N
XLogP6.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.00
LogP ≤ 56.10
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-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 21092908) is N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(C(C)(C)O)cc2)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is NJJBSESFJVYGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O3/c1-18-17-26(31(19(2)32)23-15-13-22(29)14-16-23)24-7-5-6-8-25(24)30(18)27(33)20-9-11-21(12-10-20)28(3,4)34/h5-16,18,26,34H,17H2,1-4H3.
What are the key properties of N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-chlorophenyl)-N-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 477.00 g/mol, XLogP of 6.10, 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-[1-[4-(2-hydroxypropan-2-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 21092908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).