2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

C28H24ClN3O3 — CID 17259950

IUPAC2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C28H24ClN3O3/c1-18-4-2-7-23-24(17-25(31-26(18)23)19-8-10-21(29)11-9-19)27(33)30-22-6-3-5-20(16-22)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3,(H,30,33)
InChIKeyRQTSRYZZCUBWPC-UHFFFAOYSA-N
MW485.97 g/mol
LogP5.59
Rot. Bonds4

About 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide

2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (PubChem CID 17259950) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
PubChem CID17259950
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C28H24ClN3O3/c1-18-4-2-7-23-24(17-25(31-26(18)23)19-8-10-21(29)11-9-19)27(33)30-22-6-3-5-20(16-22)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3,(H,30,33)
InChIKeyRQTSRYZZCUBWPC-UHFFFAOYSA-N
XLogP5.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromophenyl)-8-methylquinoline-4-carboxamide
CID 17261563
3-methyl-N-[3-(morpholine-4-carbonyl)phenyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55797229
2-(4-chlorophenyl)-8-methyl-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17337998
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330795
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
3-bromo-2-hydroxy-5-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 56566780
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide (CID 17259950) is 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is Cc1cccc2c(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
The InChIKey is RQTSRYZZCUBWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-18-4-2-7-23-24(17-25(31-26(18)23)19-8-10-21(29)11-9-19)27(33)30-22-6-3-5-20(16-22)28(34)32-12-14-35-15-13-32/h2-11,16-17H,12-15H2,1H3,(H,30,33).
What are the key properties of 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide?
2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-8-methyl-N-[3-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 17259950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).