2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one

C19H21N3O2 — CID 166312387

IUPAC2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one
SMILESCNCCOc1ccc(-c2ccc3nc(C)n(C)c(=O)c3c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-21-18-9-6-15(12-17(18)19(23)22(13)3)14-4-7-16(8-5-14)24-11-10-20-2/h4-9,12,20H,10-11H2,1-3H3
InChIKeyHNTBOWXRCKPRBN-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.51
Rot. Bonds5

About 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one

2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one (PubChem CID 166312387) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one
PubChem CID166312387
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one
SMILESCNCCOc1ccc(-c2ccc3nc(C)n(C)c(=O)c3c2)cc1
InChIInChI=1S/C19H21N3O2/c1-13-21-18-9-6-15(12-17(18)19(23)22(13)3)14-4-7-16(8-5-14)24-11-10-20-2/h4-9,12,20H,10-11H2,1-3H3
InChIKeyHNTBOWXRCKPRBN-UHFFFAOYSA-N
XLogP2.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one?
The IUPAC name of 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one (CID 166312387) is 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one is CNCCOc1ccc(-c2ccc3nc(C)n(C)c(=O)c3c2)cc1.
What is the InChIKey of 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one?
The InChIKey is HNTBOWXRCKPRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-21-18-9-6-15(12-17(18)19(23)22(13)3)14-4-7-16(8-5-14)24-11-10-20-2/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one?
2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[4-[2-(methylamino)ethoxy]phenyl]quinazolin-4-one is sourced from PubChem (CID 166312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).