7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol

C17H14Cl2N2O — CID 146475110

IUPAC7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14Cl2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3
InChIKeyQDVDPTJSAXYICN-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.56
Rot. Bonds3

About 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol

7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol (PubChem CID 146475110) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
PubChem CID146475110
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol
SMILESCNC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
InChIInChI=1S/C17H14Cl2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3
InChIKeyQDVDPTJSAXYICN-UHFFFAOYSA-N
XLogP4.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.56
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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Related Compounds

7-[(4-chlorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146474872
N-[(R)-(2,4-dichlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
CID 1129397
7-[(2,4-dichlorophenyl)-[(6-methyl-3-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543190
7-[(2,4-difluorophenyl)-(methylamino)methyl]quinolin-8-ol
CID 146475105
7-[(2,4-dichloroanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 4073581
7-[(2,5-dichlorophenyl)-[(5-fluoro-2-pyridinyl)amino]methyl]quinolin-8-ol
CID 58543055
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
7-[1-(2,4-dichlorophenyl)-2-pyridin-2-ylethyl]quinolin-8-ol
CID 58543019
7-[1-(2,4-dichlorophenyl)-2-(3,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542724
7-[(4-chlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895250
7-[1-(2,4-dichlorophenyl)-2-(4,5-dichloro-2-pyridinyl)ethyl]quinolin-8-ol
CID 58542744
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The IUPAC name of 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol (CID 146475110) is 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The canonical SMILES for 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol is CNC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol?
The InChIKey is QDVDPTJSAXYICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-20-16(12-7-5-11(18)9-14(12)19)13-6-4-10-3-2-8-21-15(10)17(13)22/h2-9,16,20,22H,1H3.
What are the key properties of 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol?
7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol has a molecular weight of 333.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-dichlorophenyl)-(methylamino)methyl]quinolin-8-ol is sourced from PubChem (CID 146475110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).