ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate

C23H20N4O3 — CID 24879244

IUPACethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKeyJZTVWMNQNFKFGJ-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.52
Rot. Bonds4

About ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate

ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate (PubChem CID 24879244) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
PubChem CID24879244
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Nameethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate
SMILESCCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1
InChIInChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKeyJZTVWMNQNFKFGJ-UHFFFAOYSA-N
XLogP3.52
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate with MolForge

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Related Compounds

Ethyl 4-((4-(diethylamino)phenyl)amino)-6-methylquinoline-3-carboxylate
CID 1568449
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 56
CID 5327902
methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
Methyl 3-[(2-pyridin-4-ylquinazolin-4-yl)amino]benzoate
CID 1418188
3-(2-Pyridin-3-yl-quinazolin-4-ylamino)-benzoic acid methyl ester
CID 1186125
Ethyl 4-((2-(pyridin-3-yl)quinazolin-4-yl)amino)benzoate
CID 1186128
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
Benzyl 2,4-diaminoquinazoline-6-carboxylate
CID 487401
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
Ethyl 4-(4-acetylanilino)-8-methylquinoline-3-carboxylate
CID 705510
(2,4-Diaminoquinazolin-6-yl)methyl anthracene-9-carboxylate
CID 3008593
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-6-yl]-benzoic acid methyl ester
CID 10157755

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The IUPAC name of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate (CID 24879244) is ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate is CCOC(=O)c1ccc(-n2ccc(C)c(-c3ccc4nc(N)ncc4c3)c2=O)cc1.
What is the InChIKey of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
The InChIKey is JZTVWMNQNFKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-30-22(29)15-4-7-18(8-5-15)27-11-10-14(2)20(21(27)28)16-6-9-19-17(12-16)13-25-23(24)26-19/h4-13H,3H2,1-2H3,(H2,24,25,26).
What are the key properties of ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate?
ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate has a molecular weight of 400.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-aminoquinazolin-6-yl)-4-methyl-2-oxo-1-pyridinyl]benzoate is sourced from PubChem (CID 24879244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).