1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid

C18H17N3O4 — CID 90232864

IUPAC1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCOc1cccc2nc(C(C)NC(=O)O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C18H17N3O4/c1-11(19-18(23)24)16-20-13-9-6-10-14(25-2)15(13)17(22)21(16)12-7-4-3-5-8-12/h3-11,19H,1-2H3,(H,23,24)
InChIKeyLYBPLQIFMPVJPI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.72
Rot. Bonds4

About 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid

1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (PubChem CID 90232864) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
PubChem CID90232864
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESCOc1cccc2nc(C(C)NC(=O)O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C18H17N3O4/c1-11(19-18(23)24)16-20-13-9-6-10-14(25-2)15(13)17(22)21(16)12-7-4-3-5-8-12/h3-11,19H,1-2H3,(H,23,24)
InChIKeyLYBPLQIFMPVJPI-UHFFFAOYSA-N
XLogP2.72
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-4-oxo-3-phenylquinazolin-2-yl]ethylcarbamic acid
CID 118677983
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90235066
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
1-[5-chloro-3-(3-methoxy-2-methylphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233105
1-[5-chloro-3-[3-[(2-methoxyphenyl)carbamoylamino]phenyl]-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 139556615
1-[5-chloro-3-(4-fluoro-3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90235723
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
CID 141346036
1-[5-(difluoromethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90233135
tert-butyl N-[(1S)-1-(5-ethynyl-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 152666916
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293
1-[4-oxo-3-phenyl-5-[3-(2,2,6,6-tetrafluoromorpholin-4-yl)propyl]quinazolin-2-yl]ethylcarbamic acid
CID 118677647

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The IUPAC name of 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (CID 90232864) is 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The canonical SMILES for 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is COc1cccc2nc(C(C)NC(=O)O)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The InChIKey is LYBPLQIFMPVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(19-18(23)24)16-20-13-9-6-10-14(25-2)15(13)17(22)21(16)12-7-4-3-5-8-12/h3-11,19H,1-2H3,(H,23,24).
What are the key properties of 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid has a molecular weight of 339.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 90232864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).