[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol

C18H16Cl2N2O — CID 122186007

IUPAC[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
SMILESCc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CO)c2n1
InChIInChI=1S/C18H16Cl2N2O/c1-11-8-16(14-6-2-5-13(10-23)18(14)22-11)21-9-12-4-3-7-15(19)17(12)20/h2-8,23H,9-10H2,1H3,(H,21,22)
InChIKeyYEJIRLMMTYBILN-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.95
Rot. Bonds4

About [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol

[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol (PubChem CID 122186007) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol.

Molecular Properties

Compound Name[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
PubChem CID122186007
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
SMILESCc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CO)c2n1
InChIInChI=1S/C18H16Cl2N2O/c1-11-8-16(14-6-2-5-13(10-23)18(14)22-11)21-9-12-4-3-7-15(19)17(12)20/h2-8,23H,9-10H2,1H3,(H,21,22)
InChIKeyYEJIRLMMTYBILN-UHFFFAOYSA-N
XLogP4.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
CID 70849512
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
8-(methoxymethyl)-2-methyl-N-propylquinolin-4-amine
CID 62197742
2-methyl-4-(propylamino)quinolin-8-ol
CID 45097479
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
CID 4725567
4-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylquinoline-8-carboxamide
CID 122185970
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol?
The IUPAC name of [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol (CID 122186007) is [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol.
What is the SMILES notation for [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol?
The canonical SMILES for [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol is Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(CO)c2n1.
What is the InChIKey of [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol?
The InChIKey is YEJIRLMMTYBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-11-8-16(14-6-2-5-13(10-23)18(14)22-11)21-9-12-4-3-7-15(19)17(12)20/h2-8,23H,9-10H2,1H3,(H,21,22).
What are the key properties of [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol?
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol has a molecular weight of 347.25 g/mol, XLogP of 4.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol is sourced from PubChem (CID 122186007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).