6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one

C14H11IN4O — CID 136808611

IUPAC6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Nc3ccccc3I)[nH]c(=O)c2c1
InChIInChI=1S/C14H11IN4O/c15-10-3-1-2-4-12(10)18-14-17-11-6-5-8(16)7-9(11)13(20)19-14/h1-7H,16H2,(H2,17,18,19,20)
InChIKeyQAYKFDWELGMCGU-UHFFFAOYSA-N
MW378.17 g/mol
LogP2.85
Rot. Bonds2

About 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one

6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one (PubChem CID 136808611) has the molecular formula C14H11IN4O and a molecular weight of 378.17 g/mol. Its IUPAC name is 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one
PubChem CID136808611
Molecular FormulaC14H11IN4O
Molecular Weight378.17 g/mol
Exact Mass378.00
IUPAC Name6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(Nc3ccccc3I)[nH]c(=O)c2c1
InChIInChI=1S/C14H11IN4O/c15-10-3-1-2-4-12(10)18-14-17-11-6-5-8(16)7-9(11)13(20)19-14/h1-7H,16H2,(H2,17,18,19,20)
InChIKeyQAYKFDWELGMCGU-UHFFFAOYSA-N
XLogP2.85
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(2,3-dichloroanilino)-3H-quinazolin-4-one
CID 136808641
6-amino-2-(2-chloro-5-fluoroanilino)-3H-quinazolin-4-one
CID 136857307
6-amino-2-(4-chloroanilino)-3H-quinazolin-4-one
CID 136808617
6-amino-2-(3,4-dichloroanilino)-3H-quinazolin-4-one
CID 136808608
6-amino-2-(2,2-dimethylhydrazinyl)-3H-quinazolin-4-one
CID 136809214
6-amino-2-[(2-chlorophenyl)methylamino]-3H-quinazolin-4-one
CID 136808564
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-amino-2-(2,3,3-trimethylbutylamino)-3H-quinazolin-4-one
CID 136809224
6-amino-2-(3-methylbut-2-enylamino)-3H-quinazolin-4-one
CID 136987740
6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
6-amino-2-[(3-methoxycyclobutyl)amino]-3H-quinazolin-4-one
CID 136785565
6-amino-2-[(4-hydroxy-3-methylbutan-2-yl)amino]-3H-quinazolin-4-one
CID 136809282

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one (CID 136808611) is 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one is Nc1ccc2nc(Nc3ccccc3I)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one?
The InChIKey is QAYKFDWELGMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4O/c15-10-3-1-2-4-12(10)18-14-17-11-6-5-8(16)7-9(11)13(20)19-14/h1-7H,16H2,(H2,17,18,19,20).
What are the key properties of 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one?
6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one has a molecular weight of 378.17 g/mol, XLogP of 2.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-iodoanilino)-3H-quinazolin-4-one is sourced from PubChem (CID 136808611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).