2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide

C21H20ClN3O2 — CID 4638984

IUPAC2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NN1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c1-14-19(21(26)24-25-10-12-27-13-11-25)17-4-2-3-5-18(17)23-20(14)15-6-8-16(22)9-7-15/h2-9H,10-13H2,1H3,(H,24,26)
InChIKeyVNKUNXMXXNXMRB-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.84
Rot. Bonds3

About 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide

2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 4638984) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
PubChem CID4638984
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NN1CCOCC1
InChIInChI=1S/C21H20ClN3O2/c1-14-19(21(26)24-25-10-12-27-13-11-25)17-4-2-3-5-18(17)23-20(14)15-6-8-16(22)9-7-15/h2-9H,10-13H2,1H3,(H,24,26)
InChIKeyVNKUNXMXXNXMRB-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
CID 4591823
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-methyl-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 5008423
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 1220212
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 3508293
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide (CID 4638984) is 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is VNKUNXMXXNXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-14-19(21(26)24-25-10-12-27-13-11-25)17-4-2-3-5-18(17)23-20(14)15-6-8-16(22)9-7-15/h2-9H,10-13H2,1H3,(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4638984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).