3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one

C20H28FN3O2 — CID 163544982

IUPAC3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2c(F)cc(OC)cc2c(=O)n1CC)N1CCCCC1
InChIInChI=1S/C20H28FN3O2/c1-4-9-17(23-10-7-6-8-11-23)19-22-18-15(20(25)24(19)5-2)12-14(26-3)13-16(18)21/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1
InChIKeyKTOXYHZKAMLBQE-QGZVFWFLSA-N
MW361.46 g/mol
LogP3.89
Rot. Bonds6

About 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one

3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one (PubChem CID 163544982) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one.

Molecular Properties

Compound Name3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one
PubChem CID163544982
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one
SMILESCCC[C@H](c1nc2c(F)cc(OC)cc2c(=O)n1CC)N1CCCCC1
InChIInChI=1S/C20H28FN3O2/c1-4-9-17(23-10-7-6-8-11-23)19-22-18-15(20(25)24(19)5-2)12-14(26-3)13-16(18)21/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1
InChIKeyKTOXYHZKAMLBQE-QGZVFWFLSA-N
XLogP3.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one with MolForge

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Related Compounds

3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163823148
6-bromo-3-ethyl-2-(1-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-one
CID 163800302
6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084
[3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-4-oxoquinazolin-6-yl]oxyboronic acid
CID 176719431
3-ethyl-6,7-dimethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]quinazolin-4-one
CID 166046837
3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-6-(trifluoromethyl)quinazolin-4-one
CID 166046807
[3-ethyl-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-4-oxoquinazolin-6-yl]boronic acid
CID 156721359
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
3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[4,3-d]pyrimidin-4-one
CID 163962579
6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
CID 164617808
5-bromo-1-ethyl-6-fluoro-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]benzimidazole
CID 146659812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one?
The IUPAC name of 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one (CID 163544982) is 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one.
What is the SMILES notation for 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one?
The canonical SMILES for 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one is CCC[C@H](c1nc2c(F)cc(OC)cc2c(=O)n1CC)N1CCCCC1.
What is the InChIKey of 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one?
The InChIKey is KTOXYHZKAMLBQE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-4-9-17(23-10-7-6-8-11-23)19-22-18-15(20(25)24(19)5-2)12-14(26-3)13-16(18)21/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1.
What are the key properties of 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one?
3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one has a molecular weight of 361.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-6-methoxy-2-[(1R)-1-piperidin-1-ylbutyl]quinazolin-4-one is sourced from PubChem (CID 163544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).