3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C24H32N4O — CID 67393740

IUPAC3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCCCCCNc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2
InChIInChI=1S/C24H32N4O/c1-5-6-9-14-25-23-20-10-7-8-11-21(20)26-24-22(17(3)27-28(23)24)19-13-12-18(29-4)15-16(19)2/h12-13,15,25H,5-11,14H2,1-4H3
InChIKeyRAKJUDLYGWSMIF-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.50
Rot. Bonds7

About 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 67393740) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID67393740
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCCCCCNc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2
InChIInChI=1S/C24H32N4O/c1-5-6-9-14-25-23-20-10-7-8-11-21(20)26-24-22(17(3)27-28(23)24)19-13-12-18(29-4)15-16(19)2/h12-13,15,25H,5-11,14H2,1-4H3
InChIKeyRAKJUDLYGWSMIF-UHFFFAOYSA-N
XLogP5.50
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 67393740) is 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is CCCCCNc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is RAKJUDLYGWSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-5-6-9-14-25-23-20-10-7-8-11-21(20)26-24-22(17(3)27-28(23)24)19-13-12-18(29-4)15-16(19)2/h12-13,15,25H,5-11,14H2,1-4H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 392.55 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 67393740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).