2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C21H19FN4O — CID 1441736

IUPAC2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESFc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1
InChIInChI=1S/C21H19FN4O/c22-15-6-3-5-14(11-15)19-12-20-24-18-9-2-1-8-17(18)21(26(20)25-19)23-13-16-7-4-10-27-16/h3-7,10-12,23H,1-2,8-9,13H2
InChIKeyGDDOQZAAGBWUJT-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.62
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 1441736) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID1441736
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESFc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1
InChIInChI=1S/C21H19FN4O/c22-15-6-3-5-14(11-15)19-12-20-24-18-9-2-1-8-17(18)21(26(20)25-19)23-13-16-7-4-10-27-16/h3-7,10-12,23H,1-2,8-9,13H2
InChIKeyGDDOQZAAGBWUJT-UHFFFAOYSA-N
XLogP4.62
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 1441736) is 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is Fc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is GDDOQZAAGBWUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-15-6-3-5-14(11-15)19-12-20-24-18-9-2-1-8-17(18)21(26(20)25-19)23-13-16-7-4-10-27-16/h3-7,10-12,23H,1-2,8-9,13H2.
What are the key properties of 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 362.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 1441736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).