N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine

C21H16IN3O — CID 141484709

IUPACN-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine
SMILESIc1cc(OCc2ccccc2)ccc1Nc1ncc2ccccc2n1
InChIInChI=1S/C21H16IN3O/c22-18-12-17(26-14-15-6-2-1-3-7-15)10-11-20(18)25-21-23-13-16-8-4-5-9-19(16)24-21/h1-13H,14H2,(H,23,24,25)
InChIKeyWWKNUHXYRCGXAM-UHFFFAOYSA-N
MW453.28 g/mol
LogP5.56
Rot. Bonds5

About N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine

N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine (PubChem CID 141484709) has the molecular formula C21H16IN3O and a molecular weight of 453.28 g/mol. Its IUPAC name is N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine
PubChem CID141484709
Molecular FormulaC21H16IN3O
Molecular Weight453.28 g/mol
Exact Mass453.03
IUPAC NameN-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine
SMILESIc1cc(OCc2ccccc2)ccc1Nc1ncc2ccccc2n1
InChIInChI=1S/C21H16IN3O/c22-18-12-17(26-14-15-6-2-1-3-7-15)10-11-20(18)25-21-23-13-16-8-4-5-9-19(16)24-21/h1-13H,14H2,(H,23,24,25)
InChIKeyWWKNUHXYRCGXAM-UHFFFAOYSA-N
XLogP5.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.28
LogP ≤ 55.56
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

N-[2-bromo-4-[(2,6-dichlorophenyl)methoxymethoxy]phenyl]quinazolin-2-amine;hydrochloride
CID 139768584
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
N-[2-iodo-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]quinazolin-4-amine
CID 54162273
7-chloro-6-nitro-N-(4-phenylmethoxyphenyl)quinazolin-2-amine
CID 156788527
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
N-ethyl-5-phenylmethoxypyrimidin-2-amine
CID 130337236
6-phenylmethoxyisoquinolin-3-amine
CID 71742578
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2-(4-phenylmethoxyphenyl)quinoxaline
CID 902798
1-N-phenyl-4-phenylmethoxybenzene-1,2-diamine
CID 70695574
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine?
The IUPAC name of N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine (CID 141484709) is N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine?
The canonical SMILES for N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine is Ic1cc(OCc2ccccc2)ccc1Nc1ncc2ccccc2n1.
What is the InChIKey of N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine?
The InChIKey is WWKNUHXYRCGXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16IN3O/c22-18-12-17(26-14-15-6-2-1-3-7-15)10-11-20(18)25-21-23-13-16-8-4-5-9-19(16)24-21/h1-13H,14H2,(H,23,24,25).
What are the key properties of N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine?
N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine has a molecular weight of 453.28 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-4-phenylmethoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 141484709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).