7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one

C15H19FN2O2 — CID 75454548

IUPAC7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one
SMILESCc1cc2c(=O)n(CCOC(C)(C)C)cnc2cc1F
InChIInChI=1S/C15H19FN2O2/c1-10-7-11-13(8-12(10)16)17-9-18(14(11)19)5-6-20-15(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyJDPRSXRYXHVBEL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.66
Rot. Bonds3

About 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one

7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one (PubChem CID 75454548) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one
PubChem CID75454548
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one
SMILESCc1cc2c(=O)n(CCOC(C)(C)C)cnc2cc1F
InChIInChI=1S/C15H19FN2O2/c1-10-7-11-13(8-12(10)16)17-9-18(14(11)19)5-6-20-15(2,3)4/h7-9H,5-6H2,1-4H3
InChIKeyJDPRSXRYXHVBEL-UHFFFAOYSA-N
XLogP2.66
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(7-fluoro-6-methyl-4-oxoquinazolin-3-yl)methyl]pentanedinitrile
CID 129398368
(2R)-2-[(7-fluoro-6-methyl-4-oxoquinazolin-3-yl)methyl]pentanedinitrile
CID 129398367
6-chloro-3-[2-(2-methylphenoxy)ethyl]quinazolin-4-one
CID 8536647
3-(2,3-dimethylbutyl)-6,7-difluoroquinazolin-4-one
CID 163775535
tert-butyl 6-(bromomethyl)-7-fluoro-4-oxoquinazoline-3-carboxylate
CID 59283408
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406
6-amino-3-[2-(2,2,2-trifluoroethoxy)ethyl]quinazolin-4-one
CID 61490842
(2R)-4-(7-bromo-6-fluoro-4-oxoquinazolin-3-yl)-2-methyl-2-methylsulfonylbutanoic acid
CID 129217770
6-chloro-3-[2-(1-ethylpyrazol-4-yl)ethyl]-7-fluoroquinazolin-4-one
CID 138001717
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535
6-chloro-3-[2-(4-ethoxyphenoxy)ethyl]quinazolin-4-one
CID 7587299
3-(4-chlorobutyl)-6,7-dimethoxyquinazolin-4-one
CID 22326633

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one (CID 75454548) is 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one is Cc1cc2c(=O)n(CCOC(C)(C)C)cnc2cc1F.
What is the InChIKey of 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one?
The InChIKey is JDPRSXRYXHVBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10-7-11-13(8-12(10)16)17-9-18(14(11)19)5-6-20-15(2,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one?
7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one has a molecular weight of 278.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]quinazolin-4-one is sourced from PubChem (CID 75454548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).