methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate

C24H28N4O4 — CID 68603298

IUPACmethyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
SMILESCOCCN1CCN(c2ccc3ncn(-c4cc(C(=O)OC)ccc4C)c(=O)c3c2)CC1
InChIInChI=1S/C24H28N4O4/c1-17-4-5-18(24(30)32-3)14-22(17)28-16-25-21-7-6-19(15-20(21)23(28)29)27-10-8-26(9-11-27)12-13-31-2/h4-7,14-16H,8-13H2,1-3H3
InChIKeyPTIFBAQSYQWFPM-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.25
Rot. Bonds6

About methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate

methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate (PubChem CID 68603298) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
PubChem CID68603298
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
SMILESCOCCN1CCN(c2ccc3ncn(-c4cc(C(=O)OC)ccc4C)c(=O)c3c2)CC1
InChIInChI=1S/C24H28N4O4/c1-17-4-5-18(24(30)32-3)14-22(17)28-16-25-21-7-6-19(15-20(21)23(28)29)27-10-8-26(9-11-27)12-13-31-2/h4-7,14-16H,8-13H2,1-3H3
InChIKeyPTIFBAQSYQWFPM-UHFFFAOYSA-N
XLogP2.25
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate with MolForge

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Related Compounds

N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 70687994
3,5-difluoro-N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]phenyl]benzamide
CID 22238193
3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 11997015
N-cyclopropyl-3-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918991
3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 22238167
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
4-methyl-3-[6-[2-(1,4-oxazepan-4-yl)ethoxy]-4-oxoquinazolin-3-yl]benzoic acid
CID 68603163
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
CID 11271381
3-(6-bromo-4-oxoquinazolin-3-yl)-4-methylbenzoic acid
CID 69229431
N-cyclopropyl-3-[6-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918846
3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 66919147

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate?
The IUPAC name of methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate (CID 68603298) is methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate is COCCN1CCN(c2ccc3ncn(-c4cc(C(=O)OC)ccc4C)c(=O)c3c2)CC1.
What is the InChIKey of methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate?
The InChIKey is PTIFBAQSYQWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-4-5-18(24(30)32-3)14-22(17)28-16-25-21-7-6-19(15-20(21)23(28)29)27-10-8-26(9-11-27)12-13-31-2/h4-7,14-16H,8-13H2,1-3H3.
What are the key properties of methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate?
methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate has a molecular weight of 436.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate is sourced from PubChem (CID 68603298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).