N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

C25H21ClN2O4 — CID 30133022

IUPACN-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C25H21ClN2O4/c1-3-28-15-20(24(29)19-14-18(31-2)10-11-22(19)28)25(30)27-21-13-16(26)9-12-23(21)32-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,30)
InChIKeyFLTMJDGUNSZLPC-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.73
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 30133022) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID30133022
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C25H21ClN2O4/c1-3-28-15-20(24(29)19-14-18(31-2)10-11-22(19)28)25(30)27-21-13-16(26)9-12-23(21)32-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,30)
InChIKeyFLTMJDGUNSZLPC-UHFFFAOYSA-N
XLogP5.73
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (CID 30133022) is N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is FLTMJDGUNSZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-3-28-15-20(24(29)19-14-18(31-2)10-11-22(19)28)25(30)27-21-13-16(26)9-12-23(21)32-17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,27,30).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 448.91 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).