(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

C25H27N3O4 — CID 55424414

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H27N3O4/c1-27-21(26-20-13-7-6-12-19(20)24(27)30)14-15-22(29)32-23(18-10-4-2-5-11-18)25(31)28-16-8-3-9-17-28/h2,4-7,10-13,23H,3,8-9,14-17H2,1H3
InChIKeyRHLXSLVRZQTUJT-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.16
Rot. Bonds6

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (PubChem CID 55424414) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
PubChem CID55424414
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
SMILESCn1c(CCC(=O)OC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C25H27N3O4/c1-27-21(26-20-13-7-6-12-19(20)24(27)30)14-15-22(29)32-23(18-10-4-2-5-11-18)25(31)28-16-8-3-9-17-28/h2,4-7,10-13,23H,3,8-9,14-17H2,1H3
InChIKeyRHLXSLVRZQTUJT-UHFFFAOYSA-N
XLogP3.16
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 4788606
(4-methylphenyl)methyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135424355
ethyl 4-[(4-oxo-3(4H)-quinazolinyl)methyl]benzoate
CID 977664
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2110246
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2458080
[2-(2-fluoroanilino)-2-oxoethyl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 2536282
Methyl 3-(2-morpholin-4-ylethyl)-4-oxo-2-[(2-oxo-2-phenylethyl)thio]-3,4-dihydroquinazoline-7-carboxylate
CID 3239758
[2-oxo-2-(1-phenylethylamino)ethyl] 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 4782118
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 16277451
(4-cyanophenyl)methyl 2-(morpholin-4-ylmethyl)-4-oxo-3H-quinazoline-7-carboxylate
CID 135415436
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135500583
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, mixt. with 2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride (1:1)
CID 64113

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate (CID 55424414) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is Cn1c(CCC(=O)OC(C(=O)N2CCCCC2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
The InChIKey is RHLXSLVRZQTUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-27-21(26-20-13-7-6-12-19(20)24(27)30)14-15-22(29)32-23(18-10-4-2-5-11-18)25(31)28-16-8-3-9-17-28/h2,4-7,10-13,23H,3,8-9,14-17H2,1H3.
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate has a molecular weight of 433.51 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate is sourced from PubChem (CID 55424414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).