(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate

C17H16N2O2 — CID 174903180

IUPAC(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate
SMILESCc1ccc(COC(=O)N2CN=Cc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-13-6-8-14(9-7-13)11-21-17(20)19-12-18-10-15-4-2-3-5-16(15)19/h2-10H,11-12H2,1H3
InChIKeyMEPQBGSAXUJLIQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.53
Rot. Bonds2

About (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate

(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate (PubChem CID 174903180) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate
PubChem CID174903180
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate
SMILESCc1ccc(COC(=O)N2CN=Cc3ccccc32)cc1
InChIInChI=1S/C17H16N2O2/c1-13-6-8-14(9-7-13)11-21-17(20)19-12-18-10-15-4-2-3-5-16(15)19/h2-10H,11-12H2,1H3
InChIKeyMEPQBGSAXUJLIQ-UHFFFAOYSA-N
XLogP3.53
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate (CID 174903180) is (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate is Cc1ccc(COC(=O)N2CN=Cc3ccccc32)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate?
The InChIKey is MEPQBGSAXUJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-6-8-14(9-7-13)11-21-17(20)19-12-18-10-15-4-2-3-5-16(15)19/h2-10H,11-12H2,1H3.
What are the key properties of (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate?
(4-methylphenyl)methyl 2H-quinazoline-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2H-quinazoline-1-carboxylate is sourced from PubChem (CID 174903180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).