7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine

C19H17N5O — CID 169231992

IUPAC7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N
InChIInChI=1S/C19H17N5O/c1-24-10-14(18(23-24)12-6-4-3-5-7-12)19-13-8-15(20)17(25-2)9-16(13)21-11-22-19/h3-11H,20H2,1-2H3
InChIKeyYERRPUAJSGMSDS-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.29
Rot. Bonds3

About 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine

7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine (PubChem CID 169231992) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine.

Molecular Properties

Compound Name7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
PubChem CID169231992
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N
InChIInChI=1S/C19H17N5O/c1-24-10-14(18(23-24)12-6-4-3-5-7-12)19-13-8-15(20)17(25-2)9-16(13)21-11-22-19/h3-11H,20H2,1-2H3
InChIKeyYERRPUAJSGMSDS-UHFFFAOYSA-N
XLogP3.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine?
The IUPAC name of 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine (CID 169231992) is 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine.
What is the SMILES notation for 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine?
The canonical SMILES for 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1N.
What is the InChIKey of 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine?
The InChIKey is YERRPUAJSGMSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-10-14(18(23-24)12-6-4-3-5-7-12)19-13-8-15(20)17(25-2)9-16(13)21-11-22-19/h3-11H,20H2,1-2H3.
What are the key properties of 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine?
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine has a molecular weight of 331.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine is sourced from PubChem (CID 169231992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).