4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine

C14H11ClN4O — CID 80877516

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)20-10-6-9(15)7-17-8-10/h2-8H,1H3,(H,16,18,19)
InChIKeyDPEUWQLULCCDKI-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.51
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine

4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine (PubChem CID 80877516) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
PubChem CID80877516
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
SMILESCNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)20-10-6-9(15)7-17-8-10/h2-8H,1H3,(H,16,18,19)
InChIKeyDPEUWQLULCCDKI-UHFFFAOYSA-N
XLogP3.51
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine (CID 80877516) is 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine is CNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine?
The InChIKey is DPEUWQLULCCDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-16-14-18-12-5-3-2-4-11(12)13(19-14)20-10-6-9(15)7-17-8-10/h2-8H,1H3,(H,16,18,19).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine?
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine has a molecular weight of 286.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine is sourced from PubChem (CID 80877516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).