ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate

C24H22N2O4 — CID 4242299

IUPACethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1OC
InChIInChI=1S/C24H22N2O4/c1-3-30-23(28)24(17-11-5-4-6-12-17)25-19-14-8-7-13-18(19)22(27)26(24)20-15-9-10-16-21(20)29-2/h4-16,25H,3H2,1-2H3
InChIKeyVYMYKHLEZDAVEB-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.18
Rot. Bonds5

About ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate

ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate (PubChem CID 4242299) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate
PubChem CID4242299
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Nameethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1OC
InChIInChI=1S/C24H22N2O4/c1-3-30-23(28)24(17-11-5-4-6-12-17)25-19-14-8-7-13-18(19)22(27)26(24)20-15-9-10-16-21(20)29-2/h4-16,25H,3H2,1-2H3
InChIKeyVYMYKHLEZDAVEB-UHFFFAOYSA-N
XLogP4.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
3-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-2,4(1H,3H)-quinazolinedione
CID 122065
2,2-diethyl-3-(4-methoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 703596
3-(4-Ethoxyphenyl)-2-ethyl-2-methyl-1,2,3-trihydroquinazolin-4-one
CID 4423590
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
CID 44298664
3-(4-methoxyphenyl)-2,2-dimethyl-1H-quinazolin-4-one
CID 919612
2-anilino-N-(2-methoxyphenyl)benzamide
CID 4568699
2-benzamido-N-(2-methoxyphenyl)benzamide
CID 724164
3-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CID 1332959
3'-(4-methoxyphenyl)-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one
CID 1916592
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate (CID 4242299) is ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate is CCOC(=O)C1(c2ccccc2)Nc2ccccc2C(=O)N1c1ccccc1OC.
What is the InChIKey of ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate?
The InChIKey is VYMYKHLEZDAVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-3-30-23(28)24(17-11-5-4-6-12-17)25-19-14-8-7-13-18(19)22(27)26(24)20-15-9-10-16-21(20)29-2/h4-16,25H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate?
ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyphenyl)-4-oxo-2-phenyl-1H-quinazoline-2-carboxylate is sourced from PubChem (CID 4242299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).