4-methyl-3-(quinolin-4-ylamino)phenol

C16H14N2O — CID 127052672

IUPAC4-methyl-3-(quinolin-4-ylamino)phenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-6-7-12(19)10-16(11)18-15-8-9-17-14-5-3-2-4-13(14)15/h2-10,19H,1H3,(H,17,18)
InChIKeyQDYGUGLJTQUUQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.99
Rot. Bonds2

About 4-methyl-3-(quinolin-4-ylamino)phenol

4-methyl-3-(quinolin-4-ylamino)phenol (PubChem CID 127052672) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-methyl-3-(quinolin-4-ylamino)phenol.

Molecular Properties

Compound Name4-methyl-3-(quinolin-4-ylamino)phenol
PubChem CID127052672
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-methyl-3-(quinolin-4-ylamino)phenol
SMILESCc1ccc(O)cc1Nc1ccnc2ccccc12
InChIInChI=1S/C16H14N2O/c1-11-6-7-12(19)10-16(11)18-15-8-9-17-14-5-3-2-4-13(14)15/h2-10,19H,1H3,(H,17,18)
InChIKeyQDYGUGLJTQUUQO-UHFFFAOYSA-N
XLogP3.99
TPSA45.15 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 ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(quinolin-4-ylamino)phenol?
The IUPAC name of 4-methyl-3-(quinolin-4-ylamino)phenol (CID 127052672) is 4-methyl-3-(quinolin-4-ylamino)phenol.
What is the SMILES notation for 4-methyl-3-(quinolin-4-ylamino)phenol?
The canonical SMILES for 4-methyl-3-(quinolin-4-ylamino)phenol is Cc1ccc(O)cc1Nc1ccnc2ccccc12.
What is the InChIKey of 4-methyl-3-(quinolin-4-ylamino)phenol?
The InChIKey is QDYGUGLJTQUUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-7-12(19)10-16(11)18-15-8-9-17-14-5-3-2-4-13(14)15/h2-10,19H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-(quinolin-4-ylamino)phenol?
4-methyl-3-(quinolin-4-ylamino)phenol has a molecular weight of 250.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(quinolin-4-ylamino)phenol is sourced from PubChem (CID 127052672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).