7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one

C25H25FN4O — CID 86581399

IUPAC7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(C3CCN(Cc4ccc(-c5ccc(F)cc5)nc4)CC3)cc2N1
InChIInChI=1S/C25H25FN4O/c26-22-6-4-19(5-7-22)23-8-1-17(14-27-23)16-30-11-9-18(10-12-30)20-2-3-21-15-28-25(31)29-24(21)13-20/h1-8,13-14,18H,9-12,15-16H2,(H2,28,29,31)
InChIKeyMMBAZJHGBJZVNH-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.90
Rot. Bonds4

About 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one

7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 86581399) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID86581399
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2ccc(C3CCN(Cc4ccc(-c5ccc(F)cc5)nc4)CC3)cc2N1
InChIInChI=1S/C25H25FN4O/c26-22-6-4-19(5-7-22)23-8-1-17(14-27-23)16-30-11-9-18(10-12-30)20-2-3-21-15-28-25(31)29-24(21)13-20/h1-8,13-14,18H,9-12,15-16H2,(H2,28,29,31)
InChIKeyMMBAZJHGBJZVNH-UHFFFAOYSA-N
XLogP4.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-N-[6-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]naphthalen-2-yl]pyridine-3-carboxamide
CID 22340506
2-(4-chlorophenyl)-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 57181978
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
2-cyclopropyl-6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945652
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945642
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
9-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]carbazole
CID 102165826
5-fluoro-2-[4-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]phenyl]pyrimidine
CID 141285088
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
(3S)-3,4-dimethyl-7-[(4-phenylpiperidin-1-yl)methyl]-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 58324359

Frequently Asked Questions

What is the IUPAC name of 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one (CID 86581399) is 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2ccc(C3CCN(Cc4ccc(-c5ccc(F)cc5)nc4)CC3)cc2N1.
What is the InChIKey of 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is MMBAZJHGBJZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-22-6-4-19(5-7-22)23-8-1-17(14-27-23)16-30-11-9-18(10-12-30)20-2-3-21-15-28-25(31)29-24(21)13-20/h1-8,13-14,18H,9-12,15-16H2,(H2,28,29,31).
What are the key properties of 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one?
7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 416.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 86581399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).