6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C17H13ClN6O — CID 45483616

IUPAC6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1
InChIInChI=1S/C17H13ClN6O/c1-24-8-6-15(23-24)22-16-12-9-11(4-5-14(12)20-10-21-16)25-17-13(18)3-2-7-19-17/h2-10H,1H3,(H,20,21,22,23)
InChIKeyDPOPBIKSYAJLLK-UHFFFAOYSA-N
MW352.79 g/mol
LogP3.95
Rot. Bonds4

About 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 45483616) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID45483616
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1
InChIInChI=1S/C17H13ClN6O/c1-24-8-6-15(23-24)22-16-12-9-11(4-5-14(12)20-10-21-16)25-17-13(18)3-2-7-19-17/h2-10H,1H3,(H,20,21,22,23)
InChIKeyDPOPBIKSYAJLLK-UHFFFAOYSA-N
XLogP3.95
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 45483616) is 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is DPOPBIKSYAJLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-24-8-6-15(23-24)22-16-12-9-11(4-5-14(12)20-10-21-16)25-17-13(18)3-2-7-19-17/h2-10H,1H3,(H,20,21,22,23).
What are the key properties of 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 352.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-pyridinyl)oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 45483616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).