7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione

C18H15ClN2O4 — CID 171715778

IUPAC7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione
SMILESCOc1cc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc(OC)c1
InChIInChI=1S/C18H15ClN2O4/c1-9-4-5-13-15(20-9)18(23)14(19)16(17(13)22)21-10-6-11(24-2)8-12(7-10)25-3/h4-8,21H,1-3H3
InChIKeyWBRJOIQTPNSHKG-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.35
Rot. Bonds4

About 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione

7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione (PubChem CID 171715778) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione.

Molecular Properties

Compound Name7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione
PubChem CID171715778
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione
SMILESCOc1cc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc(OC)c1
InChIInChI=1S/C18H15ClN2O4/c1-9-4-5-13-15(20-9)18(23)14(19)16(17(13)22)21-10-6-11(24-2)8-12(7-10)25-3/h4-8,21H,1-3H3
InChIKeyWBRJOIQTPNSHKG-UHFFFAOYSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

7-chloro-6-(3,5-dimethylanilino)-2-methylquinoline-5,8-dione
CID 169487970
7-chloro-6-(2,4-dimethylanilino)-2-methylquinoline-5,8-dione
CID 169487961
2-chloro-3-(4-methoxyanilino)naphthalene-1,4-dione
CID 4184980
2,3,5-trichloro-6-(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 12620326
6-chloro-7-(4-methoxyanilino)isoquinoline-5,8-dione
CID 10335823
N-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]-4-methoxybenzenesulfonamide
CID 138608771
2-chloro-3-(2,4-dimethoxyanilino)naphthalene-1,4-dione
CID 129009526
4-N-(3,5-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80759200
4-chloro-N-(3-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
CID 87388049
8-chloro-2-(3,5-dimethoxyanilino)-3H-quinazolin-4-one
CID 162391518
methyl 2-(2,4-dimethoxyphenyl)-6-methylpyridine-3-carboxylate
CID 177204841
5-chloro-2-(3,5-dimethoxyanilino)benzoic acid
CID 63536953

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione?
The IUPAC name of 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione (CID 171715778) is 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione.
What is the SMILES notation for 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione?
The canonical SMILES for 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione is COc1cc(NC2=C(Cl)C(=O)c3nc(C)ccc3C2=O)cc(OC)c1.
What is the InChIKey of 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione?
The InChIKey is WBRJOIQTPNSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-9-4-5-13-15(20-9)18(23)14(19)16(17(13)22)21-10-6-11(24-2)8-12(7-10)25-3/h4-8,21H,1-3H3.
What are the key properties of 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione?
7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione has a molecular weight of 358.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(3,5-dimethoxyanilino)-2-methylquinoline-5,8-dione is sourced from PubChem (CID 171715778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).