5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C18H17N3O — CID 3158652

IUPAC5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3
InChIKeyOVXJOFFDUNQEBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.84
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158652) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158652
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C18H17N3O/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3
InChIKeyOVXJOFFDUNQEBM-UHFFFAOYSA-N
XLogP3.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158652) is 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is COc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is OVXJOFFDUNQEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-11-17-15-5-3-4-6-16(15)19-18(21(17)20-12)13-7-9-14(22-2)10-8-13/h3-11,18-19H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 291.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).