6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide

C21H22N6O4 — CID 135504706

IUPAC6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
SMILESCOc1cc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c(OC)c1C)CCN3
InChIInChI=1S/C21H22N6O4/c1-11-15(30-3)9-14-17(18(11)31-4)25-21(27-8-7-22-19(14)27)26-20(29)13-5-6-16(23-10-13)24-12(2)28/h5-6,9-10,22H,7-8H2,1-4H3,(H,23,24,28)/b26-21+
InChIKeyACXOJFVADOMSGG-YYADALCUSA-N
MW422.45 g/mol
LogP1.88
Rot. Bonds4

About 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide

6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide (PubChem CID 135504706) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
PubChem CID135504706
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC Name6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
SMILESCOc1cc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c(OC)c1C)CCN3
InChIInChI=1S/C21H22N6O4/c1-11-15(30-3)9-14-17(18(11)31-4)25-21(27-8-7-22-19(14)27)26-20(29)13-5-6-16(23-10-13)24-12(2)28/h5-6,9-10,22H,7-8H2,1-4H3,(H,23,24,28)/b26-21+
InChIKeyACXOJFVADOMSGG-YYADALCUSA-N
XLogP1.88
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide (CID 135504706) is 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide is COc1cc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c(OC)c1C)CCN3.
What is the InChIKey of 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The InChIKey is ACXOJFVADOMSGG-YYADALCUSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-11-15(30-3)9-14-17(18(11)31-4)25-21(27-8-7-22-19(14)27)26-20(29)13-5-6-16(23-10-13)24-12(2)28/h5-6,9-10,22H,7-8H2,1-4H3,(H,23,24,28)/b26-21+.
What are the key properties of 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(7,9-dimethoxy-8-methyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide is sourced from PubChem (CID 135504706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).