3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C23H20ClN3O4 — CID 4682896

IUPAC3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4/c1-13-20(21(27-31-13)17-5-3-4-6-18(17)24)23(29)25-10-9-15-11-14-7-8-16(30-2)12-19(14)26-22(15)28/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWXCXGECTAWCHDD-UHFFFAOYSA-N
MW437.88 g/mol
LogP4.13
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4682896) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4682896
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC Name3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2c1
InChIInChI=1S/C23H20ClN3O4/c1-13-20(21(27-31-13)17-5-3-4-6-18(17)24)23(29)25-10-9-15-11-14-7-8-16(30-2)12-19(14)26-22(15)28/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyWXCXGECTAWCHDD-UHFFFAOYSA-N
XLogP4.13
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
Methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
CID 1044810
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
CID 5524008
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
n-(2-{[(1,3-Benzodioxol-5-ylmethyl)amino]carbonyl}phenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 11606121
6-chloro-4-(4-methoxyphenyl)-3-(3-methyl-1,2-oxazol-5-yl)-1H-quinolin-2-one
CID 136018645
N4-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2729961
3-(3,5-dichloro-4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3540828

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 4682896) is 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WXCXGECTAWCHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-13-20(21(27-31-13)17-5-3-4-6-18(17)24)23(29)25-10-9-15-11-14-7-8-16(30-2)12-19(14)26-22(15)28/h3-8,11-12H,9-10H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4682896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).