3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one

C21H19N3O2 — CID 3576813

IUPAC3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4c(=O)n3N)ccc2c1
InChIInChI=1S/C21H19N3O2/c1-13(14-7-8-16-12-17(26-2)10-9-15(16)11-14)20-23-19-6-4-3-5-18(19)21(25)24(20)22/h3-13H,22H2,1-2H3
InChIKeyXQSQYFAAIPBPCH-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.42
Rot. Bonds3

About 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one

3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one (PubChem CID 3576813) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one
PubChem CID3576813
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4c(=O)n3N)ccc2c1
InChIInChI=1S/C21H19N3O2/c1-13(14-7-8-16-12-17(26-2)10-9-15(16)11-14)20-23-19-6-4-3-5-18(19)21(25)24(20)22/h3-13H,22H2,1-2H3
InChIKeyXQSQYFAAIPBPCH-UHFFFAOYSA-N
XLogP3.42
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzamide
CID 742907
2-(4-methoxyphenyl)-N-(4-oxo-2-phenylquinazolin-3(4H)-yl)acetamide
CID 1934406
N-[2-(4-methoxyphenyl)-4-oxoquinazolin-3(4H)-yl]-2-phenylacetamide
CID 1213351
N-(2-methyl-4-oxoquinazolin-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1329832
3-{[(3-Methoxyphenyl)methyl]amino}-2-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 9551017
3-{[(3,4-Dimethoxyphenyl)methyl]amino}-2-(3-methylphenyl)-3,4-dihydroquinazolin-4-one
CID 9551018
6-methoxy-2-naphthalen-2-yl-3H-quinazolin-4-one
CID 136986960
2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one
CID 137100934
3-amino-2-[2-(3-methoxyphenyl)ethyl]-4(3H)-quinazolinone
CID 824898
2-(2-Isopropyl-4-methyl-phenoxy)-N-(2-methyl-4-oxo-4H-quinazolin-3-yl)-acetamide
CID 1415329
2-(3-methoxyphenyl)-N-(2-methyl-4-oxoquinazolin-3(4H)-yl)acetamide
CID 3236989
3-[(4-Methoxyphenyl)methylamino]-2-methylquinazolin-4-one
CID 3237873

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one (CID 3576813) is 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one is COc1ccc2cc(C(C)c3nc4ccccc4c(=O)n3N)ccc2c1.
What is the InChIKey of 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one?
The InChIKey is XQSQYFAAIPBPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13(14-7-8-16-12-17(26-2)10-9-15(16)11-14)20-23-19-6-4-3-5-18(19)21(25)24(20)22/h3-13H,22H2,1-2H3.
What are the key properties of 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one?
3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(6-methoxynaphthalen-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 3576813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).