(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

C23H20N2O4 — CID 55554777

IUPAC(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc2cc(COC(=O)Cn3cnc4c(C)cccc4c3=O)ccc2c1
InChIInChI=1S/C23H20N2O4/c1-15-4-3-5-20-22(15)24-14-25(23(20)27)12-21(26)29-13-16-6-7-18-11-19(28-2)9-8-17(18)10-16/h3-11,14H,12-13H2,1-2H3
InChIKeyKDPYBYJXMBPRON-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.61
Rot. Bonds5

About (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate

(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (PubChem CID 55554777) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
PubChem CID55554777
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
SMILESCOc1ccc2cc(COC(=O)Cn3cnc4c(C)cccc4c3=O)ccc2c1
InChIInChI=1S/C23H20N2O4/c1-15-4-3-5-20-22(15)24-14-25(23(20)27)12-21(26)29-13-16-6-7-18-11-19(28-2)9-8-17(18)10-16/h3-11,14H,12-13H2,1-2H3
InChIKeyKDPYBYJXMBPRON-UHFFFAOYSA-N
XLogP3.61
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938253
2-(3-methylphenoxy)ethyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649032
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938467
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
CID 55878694
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27939323
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46648710
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 24529030
(6-chloro-3-pyridinyl)methyl 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 34106710
[2-(cyclooctylamino)-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 27938357

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate (CID 55554777) is (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is COc1ccc2cc(COC(=O)Cn3cnc4c(C)cccc4c3=O)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
The InChIKey is KDPYBYJXMBPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-15-4-3-5-20-22(15)24-14-25(23(20)27)12-21(26)29-13-16-6-7-18-11-19(28-2)9-8-17(18)10-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate?
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate has a molecular weight of 388.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 55554777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).