(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid

C11H13N3O3 — CID 68892698

IUPAC(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid
SMILESCc1cccc2c1C(=O)NC(CNC(=O)O)N2
InChIInChI=1S/C11H13N3O3/c1-6-3-2-4-7-9(6)10(15)14-8(13-7)5-12-11(16)17/h2-4,8,12-13H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYIDLDPMXJCFZSC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.74
Rot. Bonds2

About (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid

(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid (PubChem CID 68892698) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid
PubChem CID68892698
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid
SMILESCc1cccc2c1C(=O)NC(CNC(=O)O)N2
InChIInChI=1S/C11H13N3O3/c1-6-3-2-4-7-9(6)10(15)14-8(13-7)5-12-11(16)17/h2-4,8,12-13H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyYIDLDPMXJCFZSC-UHFFFAOYSA-N
XLogP0.74
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid?
The IUPAC name of (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid (CID 68892698) is (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid.
What is the SMILES notation for (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid?
The canonical SMILES for (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid is Cc1cccc2c1C(=O)NC(CNC(=O)O)N2.
What is the InChIKey of (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid?
The InChIKey is YIDLDPMXJCFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-3-2-4-7-9(6)10(15)14-8(13-7)5-12-11(16)17/h2-4,8,12-13H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid?
(5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid has a molecular weight of 235.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-oxo-2,3-dihydro-1H-quinazolin-2-yl)methylcarbamic acid is sourced from PubChem (CID 68892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).