4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

C19H18N2O2 — CID 650040

IUPAC4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESCOc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-23-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)18(16)21-19(22)20-17/h2-7,9-10,17H,8,11H2,1H3,(H2,20,21,22)
InChIKeyKVYYUWKCFTZXIJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.41
Rot. Bonds2

About 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (PubChem CID 650040) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
PubChem CID650040
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESCOc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1
InChIInChI=1S/C19H18N2O2/c1-23-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)18(16)21-19(22)20-17/h2-7,9-10,17H,8,11H2,1H3,(H2,20,21,22)
InChIKeyKVYYUWKCFTZXIJ-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (CID 650040) is 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is COc1ccc(C2NC(=O)NC3=C2CCc2ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The InChIKey is KVYYUWKCFTZXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-14-9-6-13(7-10-14)17-16-11-8-12-4-2-3-5-15(12)18(16)21-19(22)20-17/h2-7,9-10,17H,8,11H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is sourced from PubChem (CID 650040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).