2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C19H21FN4O — CID 3230100

IUPAC2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCOCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2
InChIInChI=1S/C19H21FN4O/c1-25-11-10-21-19-15-4-2-3-5-16(15)22-18-12-17(23-24(18)19)13-6-8-14(20)9-7-13/h6-9,12,21H,2-5,10-11H2,1H3
InChIKeyCTLIXVHEQHLCSL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.47
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 3230100) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID3230100
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCOCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2
InChIInChI=1S/C19H21FN4O/c1-25-11-10-21-19-15-4-2-3-5-16(15)22-18-12-17(23-24(18)19)13-6-8-14(20)9-7-13/h6-9,12,21H,2-5,10-11H2,1H3
InChIKeyCTLIXVHEQHLCSL-UHFFFAOYSA-N
XLogP3.47
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.47
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 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 3230100) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is COCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is CTLIXVHEQHLCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-25-11-10-21-19-15-4-2-3-5-16(15)22-18-12-17(23-24(18)19)13-6-8-14(20)9-7-13/h6-9,12,21H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 340.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 3230100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).