N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine

C20H13ClFN3Se — CID 88532585

IUPACN-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc([Se]c4ccccc4)cc23)cc1Cl
InChIInChI=1S/C20H13ClFN3Se/c21-17-10-13(6-8-18(17)22)25-20-16-11-15(7-9-19(16)23-12-24-20)26-14-4-2-1-3-5-14/h1-12H,(H,23,24,25)
InChIKeyLKLYAYRDCBVKMM-UHFFFAOYSA-N
MW428.76 g/mol
LogP3.82
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine (PubChem CID 88532585) has the molecular formula C20H13ClFN3Se and a molecular weight of 428.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
PubChem CID88532585
Molecular FormulaC20H13ClFN3Se
Molecular Weight428.76 g/mol
Exact Mass428.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc([Se]c4ccccc4)cc23)cc1Cl
InChIInChI=1S/C20H13ClFN3Se/c21-17-10-13(6-8-18(17)22)25-20-16-11-15(7-9-19(16)23-12-24-20)26-14-4-2-1-3-5-14/h1-12H,(H,23,24,25)
InChIKeyLKLYAYRDCBVKMM-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
CID 156755708
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
(E)-5-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoic acid
CID 18176225
5-[[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]amino]-5-oxopent-3-enoic acid
CID 57177273
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482
2-[(2-chloro-2-fluoroacetyl)amino]-N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]benzamide
CID 142342734
N-(3-chloro-4-fluorophenyl)-6-[4-chloro-3-(methylamino)phenyl]quinazolin-4-amine;formaldehyde
CID 142344379
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine (CID 88532585) is N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine is Fc1ccc(Nc2ncnc3ccc([Se]c4ccccc4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine?
The InChIKey is LKLYAYRDCBVKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3Se/c21-17-10-13(6-8-18(17)22)25-20-16-11-15(7-9-19(16)23-12-24-20)26-14-4-2-1-3-5-14/h1-12H,(H,23,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine has a molecular weight of 428.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine is sourced from PubChem (CID 88532585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).