7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one

C17H14ClFN2O3 — CID 40895606

IUPAC7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1ccccc1F
InChIInChI=1S/C17H14ClFN2O3/c18-11-5-6-13-15(7-11)20-10-21(17(13)23)8-12(22)9-24-16-4-2-1-3-14(16)19/h1-7,10,12,22H,8-9H2/t12-/m0/s1
InChIKeyUTSNKOYQKWEWEX-LBPRGKRZSA-N
MW348.76 g/mol
LogP2.63
Rot. Bonds5

About 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one

7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one (PubChem CID 40895606) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
PubChem CID40895606
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC Name7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
SMILESO=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1ccccc1F
InChIInChI=1S/C17H14ClFN2O3/c18-11-5-6-13-15(7-11)20-10-21(17(13)23)8-12(22)9-24-16-4-2-1-3-14(16)19/h1-7,10,12,22H,8-9H2/t12-/m0/s1
InChIKeyUTSNKOYQKWEWEX-LBPRGKRZSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-3-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]quinazolin-4-one
CID 52541560
4-[3-(7-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]benzonitrile
CID 17464254
7-chloro-3-(2-hydroxy-2-phenylethyl)quinazolin-4-one
CID 17407106
7-fluoro-3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]quinazolin-4-one
CID 17419301
7-fluoro-3-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one
CID 17465079
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 17403996
3-[(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-7-fluoroquinazolin-4-one
CID 41176342
3-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 46664575
7-chloro-3-[2-hydroxy-3-(5-methylbenzotriazol-1-yl)propyl]quinazolin-4-one
CID 162649334
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
CID 51981456
3-[(2R)-3-(2-fluorophenoxy)-2-hydroxypropyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 25444084
3-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-6-chloroquinazolin-4-one
CID 32515761

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one (CID 40895606) is 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one is O=c1c2ccc(Cl)cc2ncn1C[C@H](O)COc1ccccc1F.
What is the InChIKey of 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one?
The InChIKey is UTSNKOYQKWEWEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c18-11-5-6-13-15(7-11)20-10-21(17(13)23)8-12(22)9-24-16-4-2-1-3-14(16)19/h1-7,10,12,22H,8-9H2/t12-/m0/s1.
What are the key properties of 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one?
7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one has a molecular weight of 348.76 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]quinazolin-4-one is sourced from PubChem (CID 40895606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).