methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate

C17H15FN2O3 — CID 15831703

IUPACmethyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate
SMILESCOC(=O)CC1c2ccccc2NC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-16(21)10-15-13-4-2-3-5-14(13)19-17(22)20(15)12-8-6-11(18)7-9-12/h2-9,15H,10H2,1H3,(H,19,22)
InChIKeyQFYAMBFZHMXADD-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.48
Rot. Bonds3

About methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate

methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate (PubChem CID 15831703) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate
PubChem CID15831703
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Namemethyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate
SMILESCOC(=O)CC1c2ccccc2NC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-16(21)10-15-13-4-2-3-5-14(13)19-17(22)20(15)12-8-6-11(18)7-9-12/h2-9,15H,10H2,1H3,(H,19,22)
InChIKeyQFYAMBFZHMXADD-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

86DF8H8Uwt
CID 135462545
CID 2998237
CID 2998237
methyl 2-[2-anilino-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-4H-quinazolin-4-yl]acetate
CID 25112129
methyl 2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]acetate
CID 25112354
Methyl 2-[2-(5-aminopentylimino)-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971402
Methyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylimino]-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971403
4-Methoxycarbonylmethyl-2-(1-piperidinyl)-3-phenyl-3,4-dihydroquinazoline
CID 15262444
2-[2-[(3-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 46347073
methyl 4-[(5R,6R,9S,13S)-7-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanoate
CID 172469784
2-(2-Oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetic acid
CID 12267402
Butyl 2-[3-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]acetate
CID 139224999
Methyl 2-[3-(4-fluorophenyl)-2-sulfanylidene-1,4-dihydroquinazolin-4-yl]propanoate
CID 139225006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate?
The IUPAC name of methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate (CID 15831703) is methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate is COC(=O)CC1c2ccccc2NC(=O)N1c1ccc(F)cc1.
What is the InChIKey of methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate?
The InChIKey is QFYAMBFZHMXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-16(21)10-15-13-4-2-3-5-14(13)19-17(22)20(15)12-8-6-11(18)7-9-12/h2-9,15H,10H2,1H3,(H,19,22).
What are the key properties of methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate?
methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate has a molecular weight of 314.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-fluorophenyl)-2-oxo-1,4-dihydroquinazolin-4-yl]acetate is sourced from PubChem (CID 15831703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).