ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate

C18H18N2O3 — CID 10968918

IUPACethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCOC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-23-17(21)12-16-14-10-6-7-11-15(14)19-18(22)20(16)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,19,22)
InChIKeyCXBDCOFGSRCREV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.73
Rot. Bonds4

About ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate

ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate (PubChem CID 10968918) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
PubChem CID10968918
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate
SMILESCCOC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-23-17(21)12-16-14-10-6-7-11-15(14)19-18(22)20(16)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,19,22)
InChIKeyCXBDCOFGSRCREV-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4S)-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-phenylpiperidine-3-carboxylate
CID 118857828
86DF8H8Uwt
CID 135462545
CID 2998237
CID 2998237
Methyl 2-(3-(biphenyl-4-yl)-2-(5-(tert-butoxycarbonylamino)pentylamino)-3,4-dihydroquinazolin-4-yl)acetate
CID 135906464
Ethyl 2-(4-{[(1-acetylpiperidin-4-YL)(propan-2-YL)carbamoyl]amino}phenyl)acetate
CID 16016747
methyl 2-[2-anilino-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]-4H-quinazolin-4-yl]acetate
CID 25112129
methyl 2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]acetate
CID 25112354
Methyl 2-[2-(5-aminopentylimino)-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971402
Methyl 2-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylimino]-3-phenyl-1,4-dihydroquinazolin-4-yl]acetate
CID 135971403
4-Methoxycarbonylmethyl-2-(1-piperidinyl)-3-phenyl-3,4-dihydroquinazoline
CID 15262444
methyl 2-[2-(4-methylpiperazin-1-yl)-3-phenyl-4H-quinazolin-4-yl]acetate
CID 44341909
methyl 2-(2-morpholin-4-yl-3-phenyl-4H-quinazolin-4-yl)acetate
CID 44342085

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The IUPAC name of ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate (CID 10968918) is ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate is CCOC(=O)CC1c2ccccc2NC(=O)N1c1ccccc1.
What is the InChIKey of ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
The InChIKey is CXBDCOFGSRCREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-17(21)12-16-14-10-6-7-11-15(14)19-18(22)20(16)13-8-4-3-5-9-13/h3-11,16H,2,12H2,1H3,(H,19,22).
What are the key properties of ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate?
ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate has a molecular weight of 310.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxo-3-phenyl-1,4-dihydroquinazolin-4-yl)acetate is sourced from PubChem (CID 10968918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).