2-[(3-chloroanilino)methyl]quinolin-8-ol

C16H13ClN2O — CID 20930675

IUPAC2-[(3-chloroanilino)methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNc3cccc(Cl)c3)nc12
InChIInChI=1S/C16H13ClN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-9,18,20H,10H2
InChIKeyCFIZLFDXCSTNQE-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.21
Rot. Bonds3

About 2-[(3-chloroanilino)methyl]quinolin-8-ol

2-[(3-chloroanilino)methyl]quinolin-8-ol (PubChem CID 20930675) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-[(3-chloroanilino)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(3-chloroanilino)methyl]quinolin-8-ol
PubChem CID20930675
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-[(3-chloroanilino)methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNc3cccc(Cl)c3)nc12
InChIInChI=1S/C16H13ClN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-9,18,20H,10H2
InChIKeyCFIZLFDXCSTNQE-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenylanilino)methyl]quinolin-8-ol
CID 153324751
3-[(8-methoxyquinolin-2-yl)methylamino]phenol
CID 80702906
5-[(3-chloroanilino)methyl]quinolin-8-ol
CID 698143
2-(8-aminoquinolin-2-yl)-N-(3-chlorophenyl)acetamide
CID 110451153
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
N-[[6-[(naphthalen-2-ylamino)methyl]-2-pyridinyl]methyl]naphthalen-2-amine
CID 21130226
3-chloro-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)aniline
CID 705362
2-[[3-[3-(3-aminopropylamino)propylamino]propylamino]methyl]quinolin-8-ol;pentahydrochloride
CID 66575698
3-chloro-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28542666
2-(3-chloroanilino)ethanethioamide
CID 82076448
2-prop-2-ynylquinolin-8-ol
CID 87394450

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroanilino)methyl]quinolin-8-ol?
The IUPAC name of 2-[(3-chloroanilino)methyl]quinolin-8-ol (CID 20930675) is 2-[(3-chloroanilino)methyl]quinolin-8-ol.
What is the SMILES notation for 2-[(3-chloroanilino)methyl]quinolin-8-ol?
The canonical SMILES for 2-[(3-chloroanilino)methyl]quinolin-8-ol is Oc1cccc2ccc(CNc3cccc(Cl)c3)nc12.
What is the InChIKey of 2-[(3-chloroanilino)methyl]quinolin-8-ol?
The InChIKey is CFIZLFDXCSTNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c17-12-4-2-5-13(9-12)18-10-14-8-7-11-3-1-6-15(20)16(11)19-14/h1-9,18,20H,10H2.
What are the key properties of 2-[(3-chloroanilino)methyl]quinolin-8-ol?
2-[(3-chloroanilino)methyl]quinolin-8-ol has a molecular weight of 284.75 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroanilino)methyl]quinolin-8-ol is sourced from PubChem (CID 20930675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).