7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol

C23H17Cl3N2O — CID 67987484

IUPAC7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)ccc1Cl
InChIInChI=1S/C23H17Cl3N2O/c1-13-11-16(6-9-18(13)24)28-21(15-5-8-19(25)20(26)12-15)17-7-4-14-3-2-10-27-22(14)23(17)29/h2-12,21,28-29H,1H3
InChIKeyALXWPCCALRSAGP-UHFFFAOYSA-N
MW443.76 g/mol
LogP7.41
Rot. Bonds4

About 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol

7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol (PubChem CID 67987484) has the molecular formula C23H17Cl3N2O and a molecular weight of 443.76 g/mol. Its IUPAC name is 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol
PubChem CID67987484
Molecular FormulaC23H17Cl3N2O
Molecular Weight443.76 g/mol
Exact Mass442.04
IUPAC Name7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol
SMILESCc1cc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)ccc1Cl
InChIInChI=1S/C23H17Cl3N2O/c1-13-11-16(6-9-18(13)24)28-21(15-5-8-19(25)20(26)12-15)17-7-4-14-3-2-10-27-22(14)23(17)29/h2-12,21,28-29H,1H3
InChIKeyALXWPCCALRSAGP-UHFFFAOYSA-N
XLogP7.41
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.76
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol (CID 67987484) is 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol is Cc1cc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)ccc1Cl.
What is the InChIKey of 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol?
The InChIKey is ALXWPCCALRSAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O/c1-13-11-16(6-9-18(13)24)28-21(15-5-8-19(25)20(26)12-15)17-7-4-14-3-2-10-27-22(14)23(17)29/h2-12,21,28-29H,1H3.
What are the key properties of 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol?
7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol has a molecular weight of 443.76 g/mol, XLogP of 7.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-methylanilino)-(3,4-dichlorophenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 67987484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).