(3-aminophenyl)-quinolin-6-ylmethanol

C16H14N2O — CID 106695803

IUPAC(3-aminophenyl)-quinolin-6-ylmethanol
SMILESNc1cccc(C(O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H14N2O/c17-14-5-1-3-12(10-14)16(19)13-6-7-15-11(9-13)4-2-8-18-15/h1-10,16,19H,17H2
InChIKeyJHNQIGNCHVCBMN-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.90
Rot. Bonds2

About (3-aminophenyl)-quinolin-6-ylmethanol

(3-aminophenyl)-quinolin-6-ylmethanol (PubChem CID 106695803) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-aminophenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(3-aminophenyl)-quinolin-6-ylmethanol
PubChem CID106695803
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name(3-aminophenyl)-quinolin-6-ylmethanol
SMILESNc1cccc(C(O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H14N2O/c17-14-5-1-3-12(10-14)16(19)13-6-7-15-11(9-13)4-2-8-18-15/h1-10,16,19H,17H2
InChIKeyJHNQIGNCHVCBMN-UHFFFAOYSA-N
XLogP2.90
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
CID 82704078
pyrazin-2-yl(quinolin-6-yl)methanol
CID 63969432
1H-pyrrol-2-yl(quinolin-6-yl)methanol
CID 112742814
(4-methoxy-3-methylphenyl)-quinolin-6-ylmethanol
CID 78917721
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-quinolin-6-ylmethanol?
The IUPAC name of (3-aminophenyl)-quinolin-6-ylmethanol (CID 106695803) is (3-aminophenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (3-aminophenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (3-aminophenyl)-quinolin-6-ylmethanol is Nc1cccc(C(O)c2ccc3ncccc3c2)c1.
What is the InChIKey of (3-aminophenyl)-quinolin-6-ylmethanol?
The InChIKey is JHNQIGNCHVCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c17-14-5-1-3-12(10-14)16(19)13-6-7-15-11(9-13)4-2-8-18-15/h1-10,16,19H,17H2.
What are the key properties of (3-aminophenyl)-quinolin-6-ylmethanol?
(3-aminophenyl)-quinolin-6-ylmethanol has a molecular weight of 250.30 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 106695803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).