3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile

C15H9IN4O — CID 114789360

IUPAC3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile
SMILESN#Cc1cc(N)c(Oc2ncc3ccccc3n2)c(I)c1
InChIInChI=1S/C15H9IN4O/c16-11-5-9(7-17)6-12(18)14(11)21-15-19-8-10-3-1-2-4-13(10)20-15/h1-6,8H,18H2
InChIKeyMQWCVHPRZWMFQD-UHFFFAOYSA-N
MW388.17 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile

3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile (PubChem CID 114789360) has the molecular formula C15H9IN4O and a molecular weight of 388.17 g/mol. Its IUPAC name is 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile.

Molecular Properties

Compound Name3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile
PubChem CID114789360
Molecular FormulaC15H9IN4O
Molecular Weight388.17 g/mol
Exact Mass387.98
IUPAC Name3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile
SMILESN#Cc1cc(N)c(Oc2ncc3ccccc3n2)c(I)c1
InChIInChI=1S/C15H9IN4O/c16-11-5-9(7-17)6-12(18)14(11)21-15-19-8-10-3-1-2-4-13(10)20-15/h1-6,8H,18H2
InChIKeyMQWCVHPRZWMFQD-UHFFFAOYSA-N
XLogP3.48
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-iodo-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile
CID 64585082
3-amino-5-iodo-4-(3-phenoxypropoxy)benzonitrile
CID 62937641
3-amino-5-iodo-4-(3-methylpyrazin-2-yl)oxybenzonitrile
CID 83063135
3-amino-4-(3-bromo-4-cyanophenoxy)-5-iodobenzonitrile
CID 107280446
5-methoxy-2-quinazolin-2-yloxyaniline
CID 114789345
3-amino-4-(5-bromo-2-cyanophenoxy)-5-iodobenzonitrile
CID 114905361
3-amino-4-(4-cyano-3-methylphenoxy)-5-iodobenzonitrile
CID 81278558
3-amino-5-iodo-4-[(3-methyl-2-pyridinyl)methoxy]benzonitrile
CID 112649781
3-amino-5-iodo-4-(4-methyl-3-oxopyrazin-2-yl)oxybenzonitrile
CID 62940265
4-bromo-3-quinazolin-2-yloxyaniline
CID 103011850
2-methoxyquinazoline
CID 594801
3-amino-4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)oxy]-5-iodobenzonitrile
CID 114578709

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile?
The IUPAC name of 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile (CID 114789360) is 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile.
What is the SMILES notation for 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile?
The canonical SMILES for 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile is N#Cc1cc(N)c(Oc2ncc3ccccc3n2)c(I)c1.
What is the InChIKey of 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile?
The InChIKey is MQWCVHPRZWMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN4O/c16-11-5-9(7-17)6-12(18)14(11)21-15-19-8-10-3-1-2-4-13(10)20-15/h1-6,8H,18H2.
What are the key properties of 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile?
3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile has a molecular weight of 388.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-iodo-4-quinazolin-2-yloxybenzonitrile is sourced from PubChem (CID 114789360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).