methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate

C18H17ClN2O3 — CID 122179902

IUPACmethyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-24-16(22)10-11-21-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(21)23/h2-9,17,20H,10-11H2,1H3
InChIKeySANXXXFZXQUPCS-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.47
Rot. Bonds4

About methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate

methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate (PubChem CID 122179902) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
PubChem CID122179902
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Namemethyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c1-24-16(22)10-11-21-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(21)23/h2-9,17,20H,10-11H2,1H3
InChIKeySANXXXFZXQUPCS-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
CID 784677
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981
methyl 4-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]butanoate
CID 122179904
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
3-(2-methoxyethyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 54778783
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
methyl 2-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3-phenylpropanoate
CID 122179891
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 52901140
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
2-(3,4-dihydroxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 47019340

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate?
The IUPAC name of methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate (CID 122179902) is methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate?
The canonical SMILES for methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate is COC(=O)CCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate?
The InChIKey is SANXXXFZXQUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-24-16(22)10-11-21-17(12-6-8-13(19)9-7-12)20-15-5-3-2-4-14(15)18(21)23/h2-9,17,20H,10-11H2,1H3.
What are the key properties of methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate?
methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate has a molecular weight of 344.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate is sourced from PubChem (CID 122179902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).