3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C18H15ClN4O — CID 8891560

IUPAC3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1
InChIInChI=1S/C18H15ClN4O/c1-11-16(19)18-21-17(20-12-7-9-13(24-2)10-8-12)14-5-3-4-6-15(14)23(18)22-11/h3-10H,1-2H3,(H,20,21)
InChIKeyHTCDWYHWZLKVQQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.60
Rot. Bonds3

About 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine

3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 8891560) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID8891560
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCOc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1
InChIInChI=1S/C18H15ClN4O/c1-11-16(19)18-21-17(20-12-7-9-13(24-2)10-8-12)14-5-3-4-6-15(14)23(18)22-11/h3-10H,1-2H3,(H,20,21)
InChIKeyHTCDWYHWZLKVQQ-UHFFFAOYSA-N
XLogP4.60
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 8891560) is 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine is COc1ccc(Nc2nc3c(Cl)c(C)nn3c3ccccc23)cc1.
What is the InChIKey of 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HTCDWYHWZLKVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-11-16(19)18-21-17(20-12-7-9-13(24-2)10-8-12)14-5-3-4-6-15(14)23(18)22-11/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 338.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8891560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).