3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione

C27H21Cl2N3O3 — CID 1407606

IUPAC3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C27H21Cl2N3O3/c1-16-8-9-18(25(33)31-14-4-6-17-5-2-3-7-22(17)31)15-21(16)30-24-23(29)26(34)32(27(24)35)20-12-10-19(28)11-13-20/h2-3,5,7-13,15,30H,4,6,14H2,1H3
InChIKeyVFIKJEBAKVDKHA-UHFFFAOYSA-N
MW506.39 g/mol
LogP5.68
Rot. Bonds4

About 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione

3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione (PubChem CID 1407606) has the molecular formula C27H21Cl2N3O3 and a molecular weight of 506.39 g/mol. Its IUPAC name is 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione
PubChem CID1407606
Molecular FormulaC27H21Cl2N3O3
Molecular Weight506.39 g/mol
Exact Mass505.10
IUPAC Name3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C27H21Cl2N3O3/c1-16-8-9-18(25(33)31-14-4-6-17-5-2-3-7-22(17)31)15-21(16)30-24-23(29)26(34)32(27(24)35)20-12-10-19(28)11-13-20/h2-3,5,7-13,15,30H,4,6,14H2,1H3
InChIKeyVFIKJEBAKVDKHA-UHFFFAOYSA-N
XLogP5.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.39
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-(4-chlorophenyl)-4-[2-methyl-5-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
CID 1407609
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
[2-(5-chloro-2-methylanilino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109266246
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3-chloro-1-(4-methoxyphenyl)-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1407871
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407541
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1407566
3-[[4-chloro-1-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407604
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione?
The IUPAC name of 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione (CID 1407606) is 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione?
The canonical SMILES for 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione is Cc1ccc(C(=O)N2CCCc3ccccc32)cc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione?
The InChIKey is VFIKJEBAKVDKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N3O3/c1-16-8-9-18(25(33)31-14-4-6-17-5-2-3-7-22(17)31)15-21(16)30-24-23(29)26(34)32(27(24)35)20-12-10-19(28)11-13-20/h2-3,5,7-13,15,30H,4,6,14H2,1H3.
What are the key properties of 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione?
3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione has a molecular weight of 506.39 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(4-chlorophenyl)-4-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methylanilino]pyrrole-2,5-dione is sourced from PubChem (CID 1407606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).