2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

C19H19N7O4 — CID 162701278

IUPAC2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILES[C-]#[N+]CCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C19H19N7O4/c1-4-26-17(28)12-5-6-13(30-8-7-21-2)15(29-3)14(12)24-19(26)25-16(27)11-9-22-18(20)23-10-11/h5-6,9-10H,4,7-8H2,1,3H3,(H2,20,22,23)(H,24,25,27)
InChIKeyBSCDOSIBOYJPJL-UHFFFAOYSA-N
MW409.41 g/mol
LogP1.35
Rot. Bonds7

About 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (PubChem CID 162701278) has the molecular formula C19H19N7O4 and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
PubChem CID162701278
Molecular FormulaC19H19N7O4
Molecular Weight409.41 g/mol
Exact Mass409.15
IUPAC Name2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILES[C-]#[N+]CCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC
InChIInChI=1S/C19H19N7O4/c1-4-26-17(28)12-5-6-13(30-8-7-21-2)15(29-3)14(12)24-19(26)25-16(27)11-9-22-18(20)23-10-11/h5-6,9-10H,4,7-8H2,1,3H3,(H2,20,22,23)(H,24,25,27)
InChIKeyBSCDOSIBOYJPJL-UHFFFAOYSA-N
XLogP1.35
TPSA138.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
CID 166812233
2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
2-amino-N-[8-(difluoromethoxy)-3-ethyl-7-hydroxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701372
2-amino-N-(8-methoxy-3-methyl-4-oxo-7-phenylmethoxyquinazolin-2-yl)pyrimidine-5-carboxamide
CID 154973811
2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701405
2-amino-N-[3-cyclopropyl-8-methoxy-7-[2-(methylamino)-2-oxoethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154973796
2-amino-N-[8-methoxy-3-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963229
2-amino-N-[8-methoxy-3-methyl-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701360
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
CID 162701391
2-amino-N-(16-ethyl-17-oxo-2,11-dioxa-14,16-diazatricyclo[10.8.0.013,18]icosa-1(12),13(18),14,19-tetraen-15-yl)pyrimidine-5-carboxamide
CID 154973715
N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]-7H-purine-6-carboxamide
CID 162701377
N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]cyclohexanecarboxamide
CID 162701298

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (CID 162701278) is 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is [C-]#[N+]CCOc1ccc2c(=O)n(CC)c(NC(=O)c3cnc(N)nc3)nc2c1OC.
What is the InChIKey of 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is BSCDOSIBOYJPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O4/c1-4-26-17(28)12-5-6-13(30-8-7-21-2)15(29-3)14(12)24-19(26)25-16(27)11-9-22-18(20)23-10-11/h5-6,9-10H,4,7-8H2,1,3H3,(H2,20,22,23)(H,24,25,27).
What are the key properties of 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162701278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).