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

C26H23ClN4O3 — CID 53200408

IUPACmethyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H23ClN4O3/c1-34-25(33)18-10-11-22-23(16-18)28-26(31(24(22)32)21-9-5-6-19(27)17-21)30-14-12-29(13-15-30)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3
InChIKeyFGMFNTIYPVHYRB-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.15
Rot. Bonds4

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

methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate (PubChem CID 53200408) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
PubChem CID53200408
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Namemethyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
SMILESCOC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H23ClN4O3/c1-34-25(33)18-10-11-22-23(16-18)28-26(31(24(22)32)21-9-5-6-19(27)17-21)30-14-12-29(13-15-30)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3
InChIKeyFGMFNTIYPVHYRB-UHFFFAOYSA-N
XLogP4.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(azepan-1-yl)-3-(3-chlorophenyl)-4-oxoquinazoline-7-carboxylate
CID 53200410
methyl 3-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)-4-oxoquinazoline-7-carboxylate
CID 53200415
methyl 2-morpholin-4-yl-4-oxo-3-phenylquinazoline-7-carboxylate
CID 22425302
methyl 3-(4-chlorophenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 50840907
methyl 3-(4-chlorophenyl)-4-oxo-2-piperidin-1-ylquinazoline-7-carboxylate
CID 50840933
methyl 3-[(4-methoxyphenyl)methyl]-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 50840696
methyl 4-oxo-3-(2-phenylethyl)-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate
CID 53200341
methyl 3-(4-methylphenyl)-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxylate
CID 122174668
methyl 3-(3,5-dimethoxyphenyl)-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 53200436
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-4-oxoquinazoline-7-carboxylate
CID 53200367
methyl 3-benzyl-2-morpholin-4-yl-4-oxoquinazoline-7-carboxylate
CID 50840851
methyl 3-(3,4-dimethylphenyl)-4-oxo-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate
CID 53200366

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The IUPAC name of methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate (CID 53200408) is methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate.
What is the SMILES notation for methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The canonical SMILES for methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate is COC(=O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(N3CCN(c4ccccc4)CC3)nc2c1.
What is the InChIKey of methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
The InChIKey is FGMFNTIYPVHYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-34-25(33)18-10-11-22-23(16-18)28-26(31(24(22)32)21-9-5-6-19(27)17-21)30-14-12-29(13-15-30)20-7-3-2-4-8-20/h2-11,16-17H,12-15H2,1H3.
What are the key properties of methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate?
methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate has a molecular weight of 474.95 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)quinazoline-7-carboxylate is sourced from PubChem (CID 53200408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).