ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

C19H19N3O5 — CID 54582388

IUPACethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O5/c1-4-26-19(23)22-12-5-7-13(8-6-12)27-18-14-9-16(24-2)17(25-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyKWDAJLCLDANXGD-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.01
Rot. Bonds6

About ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate

ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate (PubChem CID 54582388) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
PubChem CID54582388
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Nameethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H19N3O5/c1-4-26-19(23)22-12-5-7-13(8-6-12)27-18-14-9-16(24-2)17(25-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,22,23)
InChIKeyKWDAJLCLDANXGD-UHFFFAOYSA-N
XLogP4.01
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 155671308
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 22637143
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
(2-methoxy-1-methylcyclohex-3-en-1-yl)methyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 142073349
1-(3-chloro-4-fluorophenyl)-3-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
CID 54586238
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
1-morpholin-4-ylhexan-3-yl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 58739028
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
CID 129010598
N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-iodobenzamide
CID 58738973
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The IUPAC name of ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate (CID 54582388) is ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The canonical SMILES for ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate is CCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
The InChIKey is KWDAJLCLDANXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-4-26-19(23)22-12-5-7-13(8-6-12)27-18-14-9-16(24-2)17(25-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,22,23).
What are the key properties of ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate?
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate has a molecular weight of 369.38 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate is sourced from PubChem (CID 54582388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).