2-iodo-4-(4-phenylphenyl)quinazoline

C20H13IN2 — CID 134286122

IUPAC2-iodo-4-(4-phenylphenyl)quinazoline
SMILESIc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C20H13IN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyMFHULFVMKMIXKM-UHFFFAOYSA-N
MW408.24 g/mol
LogP5.57
Rot. Bonds2

About 2-iodo-4-(4-phenylphenyl)quinazoline

2-iodo-4-(4-phenylphenyl)quinazoline (PubChem CID 134286122) has the molecular formula C20H13IN2 and a molecular weight of 408.24 g/mol. Its IUPAC name is 2-iodo-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-iodo-4-(4-phenylphenyl)quinazoline
PubChem CID134286122
Molecular FormulaC20H13IN2
Molecular Weight408.24 g/mol
Exact Mass408.01
IUPAC Name2-iodo-4-(4-phenylphenyl)quinazoline
SMILESIc1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1
InChIInChI=1S/C20H13IN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyMFHULFVMKMIXKM-UHFFFAOYSA-N
XLogP5.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.24
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylquinazoline-2-carbonitrile
CID 15424970
2-ethyl-4-(4-phenylphenyl)quinazoline
CID 134403599
2-(3,5-diphenylphenyl)-4-phenylquinazoline
CID 155283512
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2,4-bis(3,5-diphenylphenyl)quinazoline
CID 146334707
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
21-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475328
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-iodo-4-(4-phenylphenyl)quinazoline (CID 134286122) is 2-iodo-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-iodo-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-iodo-4-(4-phenylphenyl)quinazoline is Ic1nc(-c2ccc(-c3ccccc3)cc2)c2ccccc2n1.
What is the InChIKey of 2-iodo-4-(4-phenylphenyl)quinazoline?
The InChIKey is MFHULFVMKMIXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IN2/c21-20-22-18-9-5-4-8-17(18)19(23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-iodo-4-(4-phenylphenyl)quinazoline?
2-iodo-4-(4-phenylphenyl)quinazoline has a molecular weight of 408.24 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 134286122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).