6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one

C11H10N4O3 — CID 13035737

IUPAC6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2CCN=C2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H10N4O3/c1-13-9-3-2-7(15(17)18)6-8(9)10-12-4-5-14(10)11(13)16/h2-3,6H,4-5H2,1H3
InChIKeyWRASGCPHSBAUBR-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.23
Rot. Bonds1

About 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one

6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (PubChem CID 13035737) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
PubChem CID13035737
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
SMILESCN1C(=O)N2CCN=C2c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C11H10N4O3/c1-13-9-3-2-7(15(17)18)6-8(9)10-12-4-5-14(10)11(13)16/h2-3,6H,4-5H2,1H3
InChIKeyWRASGCPHSBAUBR-UHFFFAOYSA-N
XLogP1.23
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-nitro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
CID 687505
potassium;1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one;chloride
CID 67873195
2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone
CID 66595179
5-(2-fluoro-3-hydroxyphenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one
CID 10471752
CID 132989920
CID 132989920
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
1-methyl-5-nitrospiro[indole-3,4'-oxane]-2-one
CID 122459681
1-methyl-3-(methylamino)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 3046728
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
8-nitro-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
CID 118730103
1-methyl-4-[2-(4-methylpiperazin-1-yl)sulfonyl-4-nitrophenyl]piperazine
CID 2920412
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one (CID 13035737) is 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is CN1C(=O)N2CCN=C2c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
The InChIKey is WRASGCPHSBAUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-13-9-3-2-7(15(17)18)6-8(9)10-12-4-5-14(10)11(13)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one?
6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one has a molecular weight of 246.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-nitro-2,3-dihydroimidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 13035737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).