9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline

C11H10IN3 — CID 10662788

IUPAC9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline
SMILESCC1=Nc2ccc(I)cc2C2=NCCN12
InChIInChI=1S/C11H10IN3/c1-7-14-10-3-2-8(12)6-9(10)11-13-4-5-15(7)11/h2-3,6H,4-5H2,1H3
InChIKeyKWHQOGPDONBFME-UHFFFAOYSA-N
MW311.13 g/mol
LogP2.42
Rot. Bonds

About 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline

9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline (PubChem CID 10662788) has the molecular formula C11H10IN3 and a molecular weight of 311.13 g/mol. Its IUPAC name is 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline
PubChem CID10662788
Molecular FormulaC11H10IN3
Molecular Weight311.13 g/mol
Exact Mass310.99
IUPAC Name9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline
SMILESCC1=Nc2ccc(I)cc2C2=NCCN12
InChIInChI=1S/C11H10IN3/c1-7-14-10-3-2-8(12)6-9(10)11-13-4-5-15(7)11/h2-3,6H,4-5H2,1H3
InChIKeyKWHQOGPDONBFME-UHFFFAOYSA-N
XLogP2.42
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline?
The IUPAC name of 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline (CID 10662788) is 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline.
What is the SMILES notation for 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline?
The canonical SMILES for 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline is CC1=Nc2ccc(I)cc2C2=NCCN12.
What is the InChIKey of 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline?
The InChIKey is KWHQOGPDONBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3/c1-7-14-10-3-2-8(12)6-9(10)11-13-4-5-15(7)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline?
9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline has a molecular weight of 311.13 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-5-methyl-2,3-dihydroimidazo[1,2-c]quinazoline is sourced from PubChem (CID 10662788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).