methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate

C28H28N4O3 — CID 53200341

IUPACmethyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C28H28N4O3/c1-35-27(34)22-12-13-24-25(20-22)29-28(32(26(24)33)15-14-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2-13,20H,14-19H2,1H3
InChIKeyRXEPYSDOHKOKIJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.75
Rot. Bonds6

About methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate

methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate (PubChem CID 53200341) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
PubChem CID53200341
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Namemethyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C28H28N4O3/c1-35-27(34)22-12-13-24-25(20-22)29-28(32(26(24)33)15-14-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2-13,20H,14-19H2,1H3
InChIKeyRXEPYSDOHKOKIJ-UHFFFAOYSA-N
XLogP3.75
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate with MolForge

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Related Compounds

methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
methyl 4-oxo-2-(2-oxopropylsulfanyl)-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 7469138
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200408
methyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 55312351
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
methyl 2-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 2575199
methyl 2-(4-cyanobutylsulfanyl)-4-oxo-3-(2-phenylethyl)quinazoline-7-carboxylate
CID 112778275
methyl 3-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200456
methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
CID 10546679
3-benzyl-4-oxo-N-propyl-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052428

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The IUPAC name of methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate (CID 53200341) is methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate.
What is the SMILES notation for methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The canonical SMILES for methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc2c1.
What is the InChIKey of methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The InChIKey is RXEPYSDOHKOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-27(34)22-12-13-24-25(20-22)29-28(32(26(24)33)15-14-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2-13,20H,14-19H2,1H3.
What are the key properties of methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate has a molecular weight of 468.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate is sourced from PubChem (CID 53200341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).