3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one

C20H28FN3O — CID 163823148

IUPAC3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2c(F)cccc2c(=O)n1CC)N1CCC[C@@H](C)C1
InChIInChI=1S/C20H28FN3O/c1-4-8-17(23-12-7-9-14(3)13-23)19-22-18-15(10-6-11-16(18)21)20(25)24(19)5-2/h6,10-11,14,17H,4-5,7-9,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyNXDKEDZPZZSYJP-RHSMWYFYSA-N
MW345.46 g/mol
LogP4.13
Rot. Bonds5

About 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one

3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one (PubChem CID 163823148) has the molecular formula C20H28FN3O and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
PubChem CID163823148
Molecular FormulaC20H28FN3O
Molecular Weight345.46 g/mol
Exact Mass345.22
IUPAC Name3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2c(F)cccc2c(=O)n1CC)N1CCC[C@@H](C)C1
InChIInChI=1S/C20H28FN3O/c1-4-8-17(23-12-7-9-14(3)13-23)19-22-18-15(10-6-11-16(18)21)20(25)24(19)5-2/h6,10-11,14,17H,4-5,7-9,12-13H2,1-3H3/t14-,17-/m1/s1
InChIKeyNXDKEDZPZZSYJP-RHSMWYFYSA-N
XLogP4.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one with MolForge

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Related Compounds

6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084
3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[4,3-d]pyrimidin-4-one
CID 163962579
3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one
CID 163544982
6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
CID 163596442
3-ethyl-6-methyl-2-[(1S)-1-[(3S)-3-methyl-1,4-diazepan-1-yl]butyl]quinazolin-4-one
CID 166046834
6,7-dichloro-3-ethyl-2-[1-[(3S)-3-methylpiperazin-1-yl]butyl]quinazolin-4-one
CID 156783752
6-bromo-3-ethyl-2-[1-(3-methylpiperazin-1-yl)butyl]quinazolin-4-one
CID 156783667
3-ethyl-2-[(1R)-1-[(3S)-3-methylpiperazin-1-yl]butyl]-6-(trifluoromethyl)pyrido[3,4-d]pyrimidin-4-one
CID 148687813
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
6-bromo-3-ethyl-2-(1-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-one
CID 163800302
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-6-(trifluoromethyl)quinazolin-4-one
CID 166046807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one (CID 163823148) is 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one is CCC[C@H](c1nc2c(F)cccc2c(=O)n1CC)N1CCC[C@@H](C)C1.
What is the InChIKey of 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one?
The InChIKey is NXDKEDZPZZSYJP-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H28FN3O/c1-4-8-17(23-12-7-9-14(3)13-23)19-22-18-15(10-6-11-16(18)21)20(25)24(19)5-2/h6,10-11,14,17H,4-5,7-9,12-13H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one?
3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one has a molecular weight of 345.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 163823148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).