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

C15H13ClN4O — CID 80870580

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine
SMILESCCNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H13ClN4O/c1-2-18-15-19-13-6-4-3-5-12(13)14(20-15)21-11-7-10(16)8-17-9-11/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySQXLJLFWBAWEDF-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.90
Rot. Bonds4

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

4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine (PubChem CID 80870580) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine
PubChem CID80870580
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine
SMILESCCNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C15H13ClN4O/c1-2-18-15-19-13-6-4-3-5-12(13)14(20-15)21-11-7-10(16)8-17-9-11/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySQXLJLFWBAWEDF-UHFFFAOYSA-N
XLogP3.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine (CID 80870580) is 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine is CCNc1nc(Oc2cncc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine?
The InChIKey is SQXLJLFWBAWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-2-18-15-19-13-6-4-3-5-12(13)14(20-15)21-11-7-10(16)8-17-9-11/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine?
4-[(5-chloro-3-pyridinyl)oxy]-N-ethylquinazolin-2-amine has a molecular weight of 300.75 g/mol, XLogP of 3.90, 4 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-ethylquinazolin-2-amine is sourced from PubChem (CID 80870580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).