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

C21H24N4O — CID 645670

IUPAC4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1
InChIInChI=1S/C21H24N4O/c1-15-5-4-6-16(13-15)19-14-20-22-18-8-3-2-7-17(18)21(25(20)23-19)24-9-11-26-12-10-24/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyNSLCEARUEKPIDI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.42
Rot. Bonds2

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

4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (PubChem CID 645670) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
PubChem CID645670
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
SMILESCc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1
InChIInChI=1S/C21H24N4O/c1-15-5-4-6-16(13-15)19-14-20-22-18-8-3-2-7-17(18)21(25(20)23-19)24-9-11-26-12-10-24/h4-6,13-14H,2-3,7-12H2,1H3
InChIKeyNSLCEARUEKPIDI-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-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The IUPAC name of 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine (CID 645670) is 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine.
What is the SMILES notation for 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The canonical SMILES for 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is Cc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
The InChIKey is NSLCEARUEKPIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-4-6-16(13-15)19-14-20-22-18-8-3-2-7-17(18)21(25(20)23-19)24-9-11-26-12-10-24/h4-6,13-14H,2-3,7-12H2,1H3.
What are the key properties of 4-[2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine?
4-[2-(3-methylphenyl)-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-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine is sourced from PubChem (CID 645670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).