6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine

C20H14IN3O — CID 54010523

IUPAC6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESIc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C20H14IN3O/c21-14-6-11-19-18(12-14)20(23-13-22-19)24-15-7-9-17(10-8-15)25-16-4-2-1-3-5-16/h1-13H,(H,22,23,24)
InChIKeyKSAATLWQCVDPKY-UHFFFAOYSA-N
MW439.26 g/mol
LogP5.77
Rot. Bonds4

About 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine

6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 54010523) has the molecular formula C20H14IN3O and a molecular weight of 439.26 g/mol. Its IUPAC name is 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID54010523
Molecular FormulaC20H14IN3O
Molecular Weight439.26 g/mol
Exact Mass439.02
IUPAC Name6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESIc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C20H14IN3O/c21-14-6-11-19-18(12-14)20(23-13-22-19)24-15-7-9-17(10-8-15)25-16-4-2-1-3-5-16/h1-13H,(H,22,23,24)
InChIKeyKSAATLWQCVDPKY-UHFFFAOYSA-N
XLogP5.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.26
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-iodoquinazolin-4-yl)amino]benzoic acid
CID 7137666
3-[4-(4-phenoxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 69485575
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
[2-chloro-4-[(6-iodoquinazolin-4-yl)amino]phenyl] benzoate
CID 71556919
6-iodo-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazolin-4-amine;hydrochloride
CID 66623307
7-methyl-6-nitro-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 167668769
5-iodo-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 66341024
6-iodo-N-naphthalen-1-ylquinazolin-4-amine
CID 23797713
N,6-diphenylquinazolin-4-amine
CID 86766666
4-[2-[4-(4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol;hydrochloride
CID 18616600
7-[4-(dimethylamino)butoxy]-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 54254112

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine (CID 54010523) is 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine is Ic1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is KSAATLWQCVDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14IN3O/c21-14-6-11-19-18(12-14)20(23-13-22-19)24-15-7-9-17(10-8-15)25-16-4-2-1-3-5-16/h1-13H,(H,22,23,24).
What are the key properties of 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine?
6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 439.26 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 54010523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).