7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C25H23FN4O2 — CID 39005053

IUPAC7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23FN4O2/c26-20-8-9-22-23(14-20)27-17-30(25(22)32)16-24(31)29-12-10-28(11-13-29)15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,17H,10-13,15-16H2
InChIKeyKBZLGEOXXDLYOI-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.03
Rot. Bonds4

About 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 39005053) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID39005053
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H23FN4O2/c26-20-8-9-22-23(14-20)27-17-30(25(22)32)16-24(31)29-12-10-28(11-13-29)15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,17H,10-13,15-16H2
InChIKeyKBZLGEOXXDLYOI-UHFFFAOYSA-N
XLogP3.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

7-fluoro-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39005436
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
6-fluoro-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 46581608
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
3-[2-oxo-2-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]quinazolin-4-one
CID 134042471
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
2-(5-fluoro-2-nitrophenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 27905821
6-fluoro-3-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 30836403
3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 92799410
2-[4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30837051

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 39005053) is 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2cc(F)ccc2c1=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is KBZLGEOXXDLYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-20-8-9-22-23(14-20)27-17-30(25(22)32)16-24(31)29-12-10-28(11-13-29)15-19-6-3-5-18-4-1-2-7-21(18)19/h1-9,14,17H,10-13,15-16H2.
What are the key properties of 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 430.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 39005053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).