2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid

C17H15N3O3 — CID 122540146

IUPAC2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16-13-8-4-5-9-14(13)19-15(10-11-18-17(22)23)20(16)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,22,23)
InChIKeyKPUUSFIEDGPBCX-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.20
Rot. Bonds4

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

2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (PubChem CID 122540146) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
PubChem CID122540146
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16-13-8-4-5-9-14(13)19-15(10-11-18-17(22)23)20(16)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,22,23)
InChIKeyKPUUSFIEDGPBCX-UHFFFAOYSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[2-(dimethylamino)ethyl]-3-phenylquinazolin-4-one
CID 3239245
2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90237261
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one
CID 739394
methyl 2-[3-[(4-oxo-3-phenylquinazolin-2-yl)methyl]aziridin-2-yl]acetate
CID 163747622
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
N-(1-adamantylmethyl)-3-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propanamide
CID 4304340
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid (CID 122540146) is 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is O=C(O)NCCc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
The InChIKey is KPUUSFIEDGPBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-13-8-4-5-9-14(13)19-15(10-11-18-17(22)23)20(16)12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,22,23).
What are the key properties of 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid?
2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid has a molecular weight of 309.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid is sourced from PubChem (CID 122540146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).