6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

C26H29FN4 — CID 59490241

IUPAC6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCCCN1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C26H29FN4/c1-2-13-31-14-11-21(12-15-31)29-26-28-17-19-16-24(18-7-9-20(27)10-8-18)22-5-3-4-6-23(22)25(19)30-26/h3-10,17,21,24H,2,11-16H2,1H3,(H,28,29,30)
InChIKeyHKPQDRRCDACSSI-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.26
Rot. Bonds5

About 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine

6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 59490241) has the molecular formula C26H29FN4 and a molecular weight of 416.54 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID59490241
Molecular FormulaC26H29FN4
Molecular Weight416.54 g/mol
Exact Mass416.24
IUPAC Name6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESCCCN1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(F)cc2)C3)CC1
InChIInChI=1S/C26H29FN4/c1-2-13-31-14-11-21(12-15-31)29-26-28-17-19-16-24(18-7-9-20(27)10-8-18)22-5-3-4-6-23(22)25(19)30-26/h3-10,17,21,24H,2,11-16H2,1H3,(H,28,29,30)
InChIKeyHKPQDRRCDACSSI-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 59490241) is 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is CCCN1CCC(Nc2ncc3c(n2)-c2ccccc2C(c2ccc(F)cc2)C3)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is HKPQDRRCDACSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4/c1-2-13-31-14-11-21(12-15-31)29-26-28-17-19-16-24(18-7-9-20(27)10-8-18)22-5-3-4-6-23(22)25(19)30-26/h3-10,17,21,24H,2,11-16H2,1H3,(H,28,29,30).
What are the key properties of 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine?
6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 416.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(1-propylpiperidin-4-yl)-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 59490241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).