3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide

C27H28N6O3 — CID 11997015

IUPAC3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-n1cnc2ccc(N3CCN(CC4CC4)CC3)cc2c1=O
InChIInChI=1S/C27H28N6O3/c1-18-2-5-20(26(34)29-25-8-13-36-30-25)14-24(18)33-17-28-23-7-6-21(15-22(23)27(33)35)32-11-9-31(10-12-32)16-19-3-4-19/h2,5-8,13-15,17,19H,3-4,9-12,16H2,1H3,(H,29,30,34)
InChIKeyBXDXPONKHWCDMT-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.47
Rot. Bonds6

About 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide

3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 11997015) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
PubChem CID11997015
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC Name3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-n1cnc2ccc(N3CCN(CC4CC4)CC3)cc2c1=O
InChIInChI=1S/C27H28N6O3/c1-18-2-5-20(26(34)29-25-8-13-36-30-25)14-24(18)33-17-28-23-7-6-21(15-22(23)27(33)35)32-11-9-31(10-12-32)16-19-3-4-19/h2,5-8,13-15,17,19H,3-4,9-12,16H2,1H3,(H,29,30,34)
InChIKeyBXDXPONKHWCDMT-UHFFFAOYSA-N
XLogP3.47
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide with MolForge

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Related Compounds

methyl 3-[6-[4-(2-methoxyethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzoate
CID 68603298
N-cyclopropyl-3-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918991
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
N-cyclopropyl-4-methyl-3-[6-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinazolin-3-yl]benzamide
CID 11350585
N-cyclopropyl-3-[6-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918975
N-cyclopropyl-3-[6-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]-4-methylbenzamide
CID 66918995
3-(5-amino-2-methylphenyl)-6-(4-methylpiperazin-1-yl)quinazolin-4-one
CID 22238167
N-cyclopropyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]-4-(trifluoromethyl)benzamide
CID 11271381
N-cyclopropyl-4-methyl-3-[6-[(3R)-1-methylpyrrolidin-3-yl]oxy-4-oxoquinazolin-3-yl]benzamide
CID 66918958
3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
CID 66919147
3-[6-(2-acetamidoethoxy)-4-oxoquinazolin-3-yl]-N-cyclopropyl-4-methylbenzamide
CID 66919080

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide (CID 11997015) is 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccon2)cc1-n1cnc2ccc(N3CCN(CC4CC4)CC3)cc2c1=O.
What is the InChIKey of 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is BXDXPONKHWCDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-18-2-5-20(26(34)29-25-8-13-36-30-25)14-24(18)33-17-28-23-7-6-21(15-22(23)27(33)35)32-11-9-31(10-12-32)16-19-3-4-19/h2,5-8,13-15,17,19H,3-4,9-12,16H2,1H3,(H,29,30,34).
What are the key properties of 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 484.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-oxoquinazolin-3-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 11997015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).