ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate

C24H28N4O3 — CID 41063175

IUPACethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1
InChIInChI=1S/C24H28N4O3/c1-3-31-24(30)28-13-11-27(12-14-28)23-25-17(2)22-20(26-23)15-19(16-21(22)29)10-9-18-7-5-4-6-8-18/h4-10,19H,3,11-16H2,1-2H3/b10-9+/t19-/m0/s1
InChIKeyCJHPCDYAVQKXAS-YXBWYFRISA-N
MW420.51 g/mol
LogP3.52
Rot. Bonds4

About ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate

ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate (PubChem CID 41063175) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
PubChem CID41063175
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nameethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1
InChIInChI=1S/C24H28N4O3/c1-3-31-24(30)28-13-11-27(12-14-28)23-25-17(2)22-20(26-23)15-19(16-21(22)29)10-9-18-7-5-4-6-8-18/h4-10,19H,3,11-16H2,1-2H3/b10-9+/t19-/m0/s1
InChIKeyCJHPCDYAVQKXAS-YXBWYFRISA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(7R)-4-methyl-2-(4-methylpiperazin-1-yl)-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 7445350
(7R)-4-methyl-7-[(E)-2-phenylethenyl]-2-pyrrolidin-1-yl-7,8-dihydro-6H-quinazolin-5-one
CID 41063393
(7S)-4-methyl-7-[(E)-2-phenylethenyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 40961426
ethyl 4-[(7R)-7-(4-chlorophenyl)-4-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 41353068
(7R)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-5-one
CID 40814781
ethyl 4-(3-phenylprop-2-enoyl)piperazine-1-carboxylate
CID 3334141
ethyl 4-[4-(4-chloroanilino)-7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate
CID 43902807
1-[4-methyl-7-(2-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperidine-4-carboxamide
CID 25249544
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7-(furan-2-yl)-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 4873973
(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601684
(7R)-7-(2-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 40814783
ethyl 4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carboxylate
CID 737563

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate (CID 41063175) is ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)c3c(n2)C[C@H](/C=C/c2ccccc2)CC3=O)CC1.
What is the InChIKey of ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
The InChIKey is CJHPCDYAVQKXAS-YXBWYFRISA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-31-24(30)28-13-11-27(12-14-28)23-25-17(2)22-20(26-23)15-19(16-21(22)29)10-9-18-7-5-4-6-8-18/h4-10,19H,3,11-16H2,1-2H3/b10-9+/t19-/m0/s1.
What are the key properties of ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate?
ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7S)-4-methyl-5-oxo-7-[(E)-2-phenylethenyl]-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 41063175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).