4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine

C21H24N4O — CID 665998

IUPAC4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESCc1nn2c(N3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3
InChIInChI=1S/C21H24N4O/c1-15-19(16-7-3-2-4-8-16)20-22-18-10-6-5-9-17(18)21(25(20)23-15)24-11-13-26-14-12-24/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyLYYVZBFRIMYVES-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.42
Rot. Bonds2

About 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine

4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine (PubChem CID 665998) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine.

Molecular Properties

Compound Name4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
PubChem CID665998
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
SMILESCc1nn2c(N3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3
InChIInChI=1S/C21H24N4O/c1-15-19(16-7-3-2-4-8-16)20-22-18-10-6-5-9-17(18)21(25(20)23-15)24-11-13-26-14-12-24/h2-4,7-8H,5-6,9-14H2,1H3
InChIKeyLYYVZBFRIMYVES-UHFFFAOYSA-N
XLogP3.42
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine?
The IUPAC name of 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine (CID 665998) is 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine.
What is the SMILES notation for 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine?
The canonical SMILES for 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine is Cc1nn2c(N3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3.
What is the InChIKey of 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine?
The InChIKey is LYYVZBFRIMYVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-19(16-7-3-2-4-8-16)20-22-18-10-6-5-9-17(18)21(25(20)23-15)24-11-13-26-14-12-24/h2-4,7-8H,5-6,9-14H2,1H3.
What are the key properties of 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine?
4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine has a molecular weight of 348.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3-phenyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine is sourced from PubChem (CID 665998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).