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

C24H32N4O — CID 22177772

IUPAC3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2
InChIInChI=1S/C24H32N4O/c1-6-17(7-2)25-23-20-10-8-9-11-21(20)26-24-22(16(4)27-28(23)24)19-13-12-18(29-5)14-15(19)3/h12-14,17,25H,6-11H2,1-5H3
InChIKeyNEEBISYYKWFJCZ-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.50
Rot. Bonds6

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

3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 22177772) 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-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID22177772
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2
InChIInChI=1S/C24H32N4O/c1-6-17(7-2)25-23-20-10-8-9-11-21(20)26-24-22(16(4)27-28(23)24)19-13-12-18(29-5)14-15(19)3/h12-14,17,25H,6-11H2,1-5H3
InChIKeyNEEBISYYKWFJCZ-UHFFFAOYSA-N
XLogP5.50
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 22177772) is 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-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-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCCC2.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is NEEBISYYKWFJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-6-17(7-2)25-23-20-10-8-9-11-21(20)26-24-22(16(4)27-28(23)24)19-13-12-18(29-5)14-15(19)3/h12-14,17,25H,6-11H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
3-(4-methoxy-2-methylphenyl)-2-methyl-N-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 392.55 g/mol, XLogP of 5.50, 6 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-pentan-3-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 22177772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).