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

C19H20N4O4 — CID 54587267

IUPACethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H20N4O4/c1-4-27-19(24)23-13-7-5-12(6-8-13)22-18-14-9-16(25-2)17(26-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyJVWYBRODEHTVBN-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.96
Rot. Bonds6

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

ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate (PubChem CID 54587267) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
PubChem CID54587267
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C19H20N4O4/c1-4-27-19(24)23-13-7-5-12(6-8-13)22-18-14-9-16(25-2)17(26-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyJVWYBRODEHTVBN-UHFFFAOYSA-N
XLogP3.96
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate with MolForge

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Related Compounds

ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
CID 129010598
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876
2-amino-6-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hexanoic acid
CID 11441241
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
propan-2-yl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]carbamate
CID 56954133
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate (CID 54587267) is ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
The InChIKey is JVWYBRODEHTVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-4-27-19(24)23-13-7-5-12(6-8-13)22-18-14-9-16(25-2)17(26-3)10-15(14)20-11-21-18/h5-11H,4H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate?
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate has a molecular weight of 368.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 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)amino]phenyl]carbamate is sourced from PubChem (CID 54587267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).