N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide

C21H22N6O4 — CID 123954977

IUPACN'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide
SMILESCOc1cc2c(c(OC)c1C)N=C(N(NC(C)=O)C(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C21H22N6O4/c1-12-16(30-3)10-15-17(18(12)31-4)24-21(26-9-8-23-19(15)26)27(25-13(2)28)20(29)14-6-5-7-22-11-14/h5-7,10-11H,8-9H2,1-4H3,(H,25,28)
InChIKeyZXJZFWNPUMRAAU-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.66
Rot. Bonds3

About N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide

N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide (PubChem CID 123954977) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide
PubChem CID123954977
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide
SMILESCOc1cc2c(c(OC)c1C)N=C(N(NC(C)=O)C(=O)c1cccnc1)N1CCN=C21
InChIInChI=1S/C21H22N6O4/c1-12-16(30-3)10-15-17(18(12)31-4)24-21(26-9-8-23-19(15)26)27(25-13(2)28)20(29)14-6-5-7-22-11-14/h5-7,10-11H,8-9H2,1-4H3,(H,25,28)
InChIKeyZXJZFWNPUMRAAU-UHFFFAOYSA-N
XLogP1.66
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(7,9-dimethoxy-8-methyl-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-pyridin-3-ylethanone
CID 66595076
2-(7-methoxy-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-pyridin-3-ylethanone
CID 91005323
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetic acid
CID 10475707
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethyl)-2,3-dihydroimidazo[1,2-c]quinazolin-8-yl]oxy]acetamide
CID 91417773
2-[7-methoxy-8-(2-piperidin-1-ylethoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]-1-pyridin-3-ylethanone
CID 91167406
2-[[7-methoxy-5-(2-oxo-2-pyridin-3-ylethylidene)-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-8-yl]oxy]-N-methylacetamide;hydrochloride
CID 162334360
2-(8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)-1-pyridin-3-ylethanone
CID 91536143
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
2-(8,9-dimethoxy-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-(6-methyl-3-pyridinyl)ethanone
CID 66595043
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide?
The IUPAC name of N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide (CID 123954977) is N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide is COc1cc2c(c(OC)c1C)N=C(N(NC(C)=O)C(=O)c1cccnc1)N1CCN=C21.
What is the InChIKey of N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide?
The InChIKey is ZXJZFWNPUMRAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-12-16(30-3)10-15-17(18(12)31-4)24-21(26-9-8-23-19(15)26)27(25-13(2)28)20(29)14-6-5-7-22-11-14/h5-7,10-11H,8-9H2,1-4H3,(H,25,28).
What are the key properties of N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide?
N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide has a molecular weight of 422.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N-(7,9-dimethoxy-8-methyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 123954977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).