4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline

C23H24FN3 — CID 44555373

IUPAC4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESFc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C23H24FN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26)
InChIKeyNPAIUWCXVKERBJ-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.67
Rot. Bonds1

About 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline

4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline (PubChem CID 44555373) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
PubChem CID44555373
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
SMILESFc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C23H24FN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26)
InChIKeyNPAIUWCXVKERBJ-UHFFFAOYSA-N
XLogP4.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164608855
(8E)-4-(3-fluorophenyl)-8-[(3-fluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164617410
(8E)-6-methyl-4-[2-(trifluoromethyl)phenyl]-8-[[2-(trifluoromethyl)phenyl]methylidene]-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164617690
(8E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-8-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164620593
(8E)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-8-[[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164622743
(8E)-4-(2,4-difluorophenyl)-8-[(2,4-difluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164623406
(8E)-4-(3,5-difluorophenyl)-8-[(3,5-difluorophenyl)methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164624588
(8E)-4-[2-fluoro-6-(trifluoromethyl)phenyl]-8-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]-6-methyl-1,4,5,7-tetrahydropyrido[4,3-d]pyrimidin-2-amine;hydrochloride
CID 164625437
4-(4-Fluorophenyl)-2-pyrrolidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
CID 44555379
4-(4-Chlorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline
CID 45484752
4-[4-(4-Fluorophenyl)-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl]morpholine
CID 45484773
4-(4-Phenyl-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-yl)morpholine
CID 45484798

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The IUPAC name of 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline (CID 44555373) is 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline.
What is the SMILES notation for 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The canonical SMILES for 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline is Fc1ccc(C2N=C(N3CCCCC3)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
The InChIKey is NPAIUWCXVKERBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3/c24-18-11-8-17(9-12-18)21-20-13-10-16-6-2-3-7-19(16)22(20)26-23(25-21)27-14-4-1-5-15-27/h2-3,6-9,11-12,21H,1,4-5,10,13-15H2,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline?
4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline has a molecular weight of 361.46 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[h]quinazoline is sourced from PubChem (CID 44555373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).