6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline

C17H10Cl3NO — CID 20677580

IUPAC6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline
SMILESClc1ccc(-c2cc(C3CO3)c3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C17H10Cl3NO/c18-10-3-1-9(2-4-10)15-6-12(17-8-22-17)11-5-13(19)14(20)7-16(11)21-15/h1-7,17H,8H2
InChIKeyGHDPDZSSEGRKSC-UHFFFAOYSA-N
MW350.63 g/mol
LogP5.93
Rot. Bonds2

About 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline

6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline (PubChem CID 20677580) has the molecular formula C17H10Cl3NO and a molecular weight of 350.63 g/mol. Its IUPAC name is 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline.

Molecular Properties

Compound Name6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline
PubChem CID20677580
Molecular FormulaC17H10Cl3NO
Molecular Weight350.63 g/mol
Exact Mass348.98
IUPAC Name6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline
SMILESClc1ccc(-c2cc(C3CO3)c3cc(Cl)c(Cl)cc3n2)cc1
InChIInChI=1S/C17H10Cl3NO/c18-10-3-1-9(2-4-10)15-6-12(17-8-22-17)11-5-13(19)14(20)7-16(11)21-15/h1-7,17H,8H2
InChIKeyGHDPDZSSEGRKSC-UHFFFAOYSA-N
XLogP5.93
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Benzyl 6,7-dichloro-2-(4-chlorophenyl)quinoline-4-carboxylate
CID 155512621
6,7-Dichloro-2-(4-chlorophenyl)-4-(phenylmethoxymethyl)quinoline
CID 155543412
2-Hydroxymethyl-5-(2,6,7-trichloro-quinolin-4-yl)-tetrahydro-furan-3,4-diol
CID 511719
9-Oxiranyl-acridine
CID 44264635
3-(4-Chlorophenyl)-5-(2-chloroquinolin-3-yl)-4,5-dihydro-1,2-oxazole
CID 70684764
6,7-Dichloro-2-(4-methoxyphenyl)-4-(phenylmethoxymethyl)quinoline
CID 155528177
1-(3,4-Dichlorophenyl)-2-(2-quinolinyl)ethanol
CID 53315287
4-(Oxiran-2-yl)-2-phenylquinoline
CID 344157
1-[2-(4-Chlorophenyl)quinolin-4-yl]ethanol
CID 230600
6-Chloro-4-(1,4-dioxan-2-yl)-2-methylquinoline
CID 146169927
(E)-2-(3-(1,1-dimethyl-1,3,4,5-tetrahydrobenzo[c]oxepin-3-yl)styryl)-7-chloroquinoline
CID 44224650
6-Chloro-2-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]quinoline
CID 89309506

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline?
The IUPAC name of 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline (CID 20677580) is 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline.
What is the SMILES notation for 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline?
The canonical SMILES for 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline is Clc1ccc(-c2cc(C3CO3)c3cc(Cl)c(Cl)cc3n2)cc1.
What is the InChIKey of 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline?
The InChIKey is GHDPDZSSEGRKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3NO/c18-10-3-1-9(2-4-10)15-6-12(17-8-22-17)11-5-13(19)14(20)7-16(11)21-15/h1-7,17H,8H2.
What are the key properties of 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline?
6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline has a molecular weight of 350.63 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(4-chlorophenyl)-4-(oxiran-2-yl)quinoline is sourced from PubChem (CID 20677580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).