7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one

C19H21N3O3 — CID 134138908

IUPAC7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(CCNc2nc3cc(OC)ccc3c(=O)n2C)cc1
InChIInChI=1S/C19H21N3O3/c1-22-18(23)16-9-8-15(25-3)12-17(16)21-19(22)20-11-10-13-4-6-14(24-2)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyWPNNLHBHLZHMBO-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.61
Rot. Bonds6

About 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one

7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one (PubChem CID 134138908) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
PubChem CID134138908
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one
SMILESCOc1ccc(CCNc2nc3cc(OC)ccc3c(=O)n2C)cc1
InChIInChI=1S/C19H21N3O3/c1-22-18(23)16-9-8-15(25-3)12-17(16)21-19(22)20-11-10-13-4-6-14(24-2)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyWPNNLHBHLZHMBO-UHFFFAOYSA-N
XLogP2.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The IUPAC name of 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one (CID 134138908) is 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The canonical SMILES for 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one is COc1ccc(CCNc2nc3cc(OC)ccc3c(=O)n2C)cc1.
What is the InChIKey of 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
The InChIKey is WPNNLHBHLZHMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22-18(23)16-9-8-15(25-3)12-17(16)21-19(22)20-11-10-13-4-6-14(24-2)7-5-13/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one?
7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-(4-methoxyphenyl)ethylamino]-3-methylquinazolin-4-one is sourced from PubChem (CID 134138908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).