ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate

C19H20N4O4 — CID 15989993

IUPACethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C19H20N4O4/c1-4-27-18(24)11-5-7-12(8-6-11)21-19-22-14-10-16(26-3)15(25-2)9-13(14)17(20)23-19/h5-10H,4H2,1-3H3,(H3,20,21,22,23)
InChIKeyYGNWIQTXRCJLGP-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.15
Rot. Bonds6

About ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate

ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate (PubChem CID 15989993) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate
PubChem CID15989993
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Nameethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1
InChIInChI=1S/C19H20N4O4/c1-4-27-18(24)11-5-7-12(8-6-11)21-19-22-14-10-16(26-3)15(25-2)9-13(14)17(20)23-19/h5-10H,4H2,1-3H3,(H3,20,21,22,23)
InChIKeyYGNWIQTXRCJLGP-UHFFFAOYSA-N
XLogP3.15
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Cudc-101
CID 24756910
Lotamilast
CID 24864553
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
Pirolate
CID 135445830
2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
6,7-dimethoxy-N~2~-(2-methoxy-5-methylphenyl)quinazoline-2,4-diamine
CID 15990109
N~2~-(4-fluorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
CID 24762052
Aurora Kinase Inhibitor II
CID 6610278
N-{4-[(7-Hydroxy-6-Methoxyquinazolin-4-Yl)amino]phenyl}benzamide
CID 135566704
6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 142432918
Ethyl 4-(5-{[(2,4-diaminoquinazolin-6-yl)methyl]amino}-2-methoxyphenoxy)butanoate
CID 16038397

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate (CID 15989993) is ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate is CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1.
What is the InChIKey of ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate?
The InChIKey is YGNWIQTXRCJLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-4-27-18(24)11-5-7-12(8-6-11)21-19-22-14-10-16(26-3)15(25-2)9-13(14)17(20)23-19/h5-10H,4H2,1-3H3,(H3,20,21,22,23).
What are the key properties of ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate?
ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate has a molecular weight of 368.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate is sourced from PubChem (CID 15989993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).