N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine

C17H14N6O — CID 45483594

IUPACN-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccccn4)cc23)n1
InChIInChI=1S/C17H14N6O/c1-23-9-7-15(22-23)21-17-13-10-12(5-6-14(13)19-11-20-17)24-16-4-2-3-8-18-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyPBJSTJDOBCOIKM-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.29
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine

N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine (PubChem CID 45483594) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine
PubChem CID45483594
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ccccn4)cc23)n1
InChIInChI=1S/C17H14N6O/c1-23-9-7-15(22-23)21-17-13-10-12(5-6-14(13)19-11-20-17)24-16-4-2-3-8-18-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyPBJSTJDOBCOIKM-UHFFFAOYSA-N
XLogP3.29
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine?
The IUPAC name of N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine (CID 45483594) is N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4ccccn4)cc23)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine?
The InChIKey is PBJSTJDOBCOIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-23-9-7-15(22-23)21-17-13-10-12(5-6-14(13)19-11-20-17)24-16-4-2-3-8-18-16/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine?
N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine has a molecular weight of 318.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-6-pyridin-2-yloxyquinazolin-4-amine is sourced from PubChem (CID 45483594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).