8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

C66H45Br4F3N10 — CID 165104809

IUPAC8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
SMILESBrCc1c(Br)ccc2c(-c3ccccc3)ccnc12.FC(F)(F)c1ncc2c(ccc3c(-c4ccccc4)ccnc32)n1.NCc1c(Br)ccc2c(-c3ccccc3)ccnc12.[N-]=[N+]=NCc1c(Br)ccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H10F3N3.C16H11Br2N.C16H11BrN4.C16H13BrN2/c19-18(20,21)17-23-10-14-15(24-17)7-6-13-12(8-9-22-16(13)14)11-4-2-1-3-5-11;17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-20-21-18;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-18/h1-10H;1-9H,10H2;1-9H,10H2;1-9H,10,18H2
InChIKeyYYFJZVKUTRJRNX-UHFFFAOYSA-N
MW1354.77 g/mol
LogP20.02
Rot. Bonds8

About 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline

8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (PubChem CID 165104809) has the molecular formula C66H45Br4F3N10 and a molecular weight of 1354.77 g/mol. Its IUPAC name is 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.

Molecular Properties

Compound Name8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
PubChem CID165104809
Molecular FormulaC66H45Br4F3N10
Molecular Weight1354.77 g/mol
Exact Mass1350.05
IUPAC Name8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
SMILESBrCc1c(Br)ccc2c(-c3ccccc3)ccnc12.FC(F)(F)c1ncc2c(ccc3c(-c4ccccc4)ccnc32)n1.NCc1c(Br)ccc2c(-c3ccccc3)ccnc12.[N-]=[N+]=NCc1c(Br)ccc2c(-c3ccccc3)ccnc12
InChIInChI=1S/C18H10F3N3.C16H11Br2N.C16H11BrN4.C16H13BrN2/c19-18(20,21)17-23-10-14-15(24-17)7-6-13-12(8-9-22-16(13)14)11-4-2-1-3-5-11;17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-20-21-18;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-18/h1-10H;1-9H,10H2;1-9H,10H2;1-9H,10,18H2
InChIKeyYYFJZVKUTRJRNX-UHFFFAOYSA-N
XLogP20.02
TPSA152.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001354.77
LogP ≤ 520.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline with MolForge

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Related Compounds

N-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methyl-7-phenylquinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;N'-[2-[3-bromo-5-(trifluoromethyl)phenyl]-8-methylquinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-7-phenyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-phenyl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine;N',N'-dimethyl-N-[8-methyl-2-[3-pyrimidin-5-yl-5-(trifluoromethyl)phenyl]quinazolin-4-yl]propane-1,3-diamine
CID 161164722
8-(Azidomethyl)-7-bromoquinoline;7-bromo-8-(bromomethyl)quinoline;3-bromo-2-methylaniline;7-bromo-8-methylquinoline;(7-bromoquinolin-8-yl)methanamine;8-(trifluoromethyl)pyrido[2,3-f]quinazoline
CID 164982040
8-(Azidomethyl)-7-bromo-4-methylquinoline;7-bromo-8-(bromomethyl)-4-methylquinoline;7-bromo-4,8-dimethylquinoline;3-bromo-2-methylaniline;(7-bromo-4-methylquinolin-8-yl)methanamine;4-methyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
CID 165021089
8-(Azidomethyl)-7-bromo-5-tert-butylquinoline;7-bromo-8-(bromomethyl)-5-tert-butylquinoline;3-bromo-5-tert-butyl-2-methylaniline;1-bromo-5-tert-butyl-2-methyl-3-nitrobenzene;7-bromo-5-tert-butyl-8-methylquinoline;(7-bromo-5-tert-butylquinolin-8-yl)methanamine;1-tert-butyl-4-methylbenzene;4-tert-butyl-1-methyl-2-nitrobenzene;5-tert-butyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline
CID 165066037
4,6,10,12,16,18-Hexakis(6-phenyl-3-pyridinyl)-3,5,9,11,15,17-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 89878001
6,8-Bis(3-phenylphenyl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline
CID 117850611
5-Bromo-6-(pyridin-2-ylmethyl)-2-pyrimidin-5-ylquinazolin-4-amine
CID 142789520
N-[6-(4-bromophenyl)-5-ethenyl-2-phenylpyrimidin-4-yl]methanimine;4-(4-bromophenyl)-2-phenylpyrido[3,2-d]pyrimidine;4-(4-bromophenyl)-2-phenylquinazoline
CID 144696821
6-[4-(3-Bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
CID 155195930
6-[4-(3-Bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]quinoline
CID 155195931
6-[4-(3-Bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-2-yl]quinoline
CID 155195948
6-[4-(3-Bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
CID 155196021

Frequently Asked Questions

What is the IUPAC name of 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?
The IUPAC name of 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline (CID 165104809) is 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline.
What is the SMILES notation for 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?
The canonical SMILES for 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is BrCc1c(Br)ccc2c(-c3ccccc3)ccnc12.FC(F)(F)c1ncc2c(ccc3c(-c4ccccc4)ccnc32)n1.NCc1c(Br)ccc2c(-c3ccccc3)ccnc12.[N-]=[N+]=NCc1c(Br)ccc2c(-c3ccccc3)ccnc12.
What is the InChIKey of 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?
The InChIKey is YYFJZVKUTRJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3.C16H11Br2N.C16H11BrN4.C16H13BrN2/c19-18(20,21)17-23-10-14-15(24-17)7-6-13-12(8-9-22-16(13)14)11-4-2-1-3-5-11;17-10-14-15(18)7-6-13-12(8-9-19-16(13)14)11-4-2-1-3-5-11;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-20-21-18;17-15-7-6-13-12(11-4-2-1-3-5-11)8-9-19-16(13)14(15)10-18/h1-10H;1-9H,10H2;1-9H,10H2;1-9H,10,18H2.
What are the key properties of 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline?
8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline has a molecular weight of 1354.77 g/mol, XLogP of 20.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azidomethyl)-7-bromo-4-phenylquinoline;7-bromo-8-(bromomethyl)-4-phenylquinoline;(7-bromo-4-phenylquinolin-8-yl)methanamine;4-phenyl-8-(trifluoromethyl)pyrido[2,3-f]quinazoline is sourced from PubChem (CID 165104809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).