3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine

C18H18FN5 — CID 141335553

IUPAC3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine
SMILESNCCCn1cc2c(n1)-c1nc(-c3ccc(F)cc3)ncc1CC2
InChIInChI=1S/C18H18FN5/c19-15-6-4-12(5-7-15)18-21-10-13-2-3-14-11-24(9-1-8-20)23-17(14)16(13)22-18/h4-7,10-11H,1-3,8-9,20H2
InChIKeyNZWSICLSOBMLKO-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.59
Rot. Bonds4

About 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine

3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine (PubChem CID 141335553) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine
PubChem CID141335553
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine
SMILESNCCCn1cc2c(n1)-c1nc(-c3ccc(F)cc3)ncc1CC2
InChIInChI=1S/C18H18FN5/c19-15-6-4-12(5-7-15)18-21-10-13-2-3-14-11-24(9-1-8-20)23-17(14)16(13)22-18/h4-7,10-11H,1-3,8-9,20H2
InChIKeyNZWSICLSOBMLKO-UHFFFAOYSA-N
XLogP2.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine?
The IUPAC name of 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine (CID 141335553) is 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine?
The canonical SMILES for 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine is NCCCn1cc2c(n1)-c1nc(-c3ccc(F)cc3)ncc1CC2.
What is the InChIKey of 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine?
The InChIKey is NZWSICLSOBMLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-15-6-4-12(5-7-15)18-21-10-13-2-3-14-11-24(9-1-8-20)23-17(14)16(13)22-18/h4-7,10-11H,1-3,8-9,20H2.
What are the key properties of 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine?
3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine has a molecular weight of 323.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine is sourced from PubChem (CID 141335553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).