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

C20H20N6O4 — CID 135531258

IUPAC6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
SMILESCOc1ccc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c1OC)CCN3
InChIInChI=1S/C20H20N6O4/c1-11(27)23-15-7-4-12(10-22-15)19(28)25-20-24-16-13(18-21-8-9-26(18)20)5-6-14(29-2)17(16)30-3/h4-7,10,21H,8-9H2,1-3H3,(H,22,23,27)/b25-20+
InChIKeyQOWFBCLAZYZYHI-LKUDQCMESA-N
MW408.42 g/mol
LogP1.57
Rot. Bonds4

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

6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide (PubChem CID 135531258) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
PubChem CID135531258
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Name6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide
SMILESCOc1ccc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c1OC)CCN3
InChIInChI=1S/C20H20N6O4/c1-11(27)23-15-7-4-12(10-22-15)19(28)25-20-24-16-13(18-21-8-9-26(18)20)5-6-14(29-2)17(16)30-3/h4-7,10,21H,8-9H2,1-3H3,(H,22,23,27)/b25-20+
InChIKeyQOWFBCLAZYZYHI-LKUDQCMESA-N
XLogP1.57
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The IUPAC name of 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide (CID 135531258) is 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide.
What is the SMILES notation for 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The canonical SMILES for 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide is COc1ccc2c3n(/c(=N/C(=O)c4ccc(NC(C)=O)nc4)nc2c1OC)CCN3.
What is the InChIKey of 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
The InChIKey is QOWFBCLAZYZYHI-LKUDQCMESA-N. The full InChI is InChI=1S/C20H20N6O4/c1-11(27)23-15-7-4-12(10-22-15)19(28)25-20-24-16-13(18-21-8-9-26(18)20)5-6-14(29-2)17(16)30-3/h4-7,10,21H,8-9H2,1-3H3,(H,22,23,27)/b25-20+.
What are the key properties of 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide?
6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(7,8-dimethoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene)pyridine-3-carboxamide is sourced from PubChem (CID 135531258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).