1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate

C83H89Br4Cl3F4N16O4 — CID 167560321

IUPAC1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate
SMILESC.CCOC(OCC)OCC.Fc1cc2c(Cl)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc3nncn3c2cc1Br.NCc1nc(N2CCCCc3ccccc32)c2cc(F)c(Br)cc2n1.NN.O.c1ccc2c(c1)CCCCC2
InChIInChI=1S/C19H15BrFN5.C19H18BrFN4.C18H14BrClFN3.C11H14.C8H2BrCl2FN2.C7H16O3.CH4.H4N2.H2O/c20-14-10-17-13(9-15(14)21)18(23-19-24-22-11-26(17)19)25-8-4-3-6-12-5-1-2-7-16(12)25;20-14-10-16-13(9-15(14)21)19(24-18(11-22)23-16)25-8-4-3-6-12-5-1-2-7-17(12)25;19-13-10-15-12(9-14(13)21)17(23-18(20)22-15)24-8-4-3-6-11-5-1-2-7-16(11)24;1-2-6-10-8-4-5-9-11(10)7-3-1;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;1-4-8-7(9-5-2)10-6-3;;1-2;/h1-2,5,7,9-11H,3-4,6,8H2;1-2,5,7,9-10H,3-4,6,8,11,22H2;1-2,5,7,9-10H,3-4,6,8H2;4-5,8-9H,1-3,6-7H2;1-2H;7H,4-6H2,1-3H3;1H4;1-2H2;1H2
InChIKeyOZYWGYMNUYJTLC-UHFFFAOYSA-N
MW1876.70 g/mol
LogP21.58
Rot. Bonds10

About 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate

1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate (PubChem CID 167560321) has the molecular formula C83H89Br4Cl3F4N16O4 and a molecular weight of 1876.70 g/mol. Its IUPAC name is 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate.

Molecular Properties

Compound Name1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate
PubChem CID167560321
Molecular FormulaC83H89Br4Cl3F4N16O4
Molecular Weight1876.70 g/mol
Exact Mass1870.30
IUPAC Name1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate
SMILESC.CCOC(OCC)OCC.Fc1cc2c(Cl)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc3nncn3c2cc1Br.NCc1nc(N2CCCCc3ccccc32)c2cc(F)c(Br)cc2n1.NN.O.c1ccc2c(c1)CCCCC2
InChIInChI=1S/C19H15BrFN5.C19H18BrFN4.C18H14BrClFN3.C11H14.C8H2BrCl2FN2.C7H16O3.CH4.H4N2.H2O/c20-14-10-17-13(9-15(14)21)18(23-19-24-22-11-26(17)19)25-8-4-3-6-12-5-1-2-7-16(12)25;20-14-10-16-13(9-15(14)21)19(24-18(11-22)23-16)25-8-4-3-6-12-5-1-2-7-17(12)25;19-13-10-15-12(9-14(13)21)17(23-18(20)22-15)24-8-4-3-6-11-5-1-2-7-16(11)24;1-2-6-10-8-4-5-9-11(10)7-3-1;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;1-4-8-7(9-5-2)10-6-3;;1-2;/h1-2,5,7,9-11H,3-4,6,8H2;1-2,5,7,9-10H,3-4,6,8,11,22H2;1-2,5,7,9-10H,3-4,6,8H2;4-5,8-9H,1-3,6-7H2;1-2H;7H,4-6H2,1-3H3;1H4;1-2H2;1H2
InChIKeyOZYWGYMNUYJTLC-UHFFFAOYSA-N
XLogP21.58
TPSA267.39 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.70
LogP ≤ 521.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate with MolForge

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Related Compounds

N-aminohydroxylamine;2-bromo-4-(3,3-difluoropropyl)pyridine;N-(2-bromo-4-pyridinyl)-2-chloro-N-(2,2-difluoroethyl)-5-fluoroquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-5-fluoro-2-hydrazinylquinazolin-4-amine;N-(2-bromo-4-pyridinyl)-N-(2,2-difluoroethyl)-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-5-fluoroquinazoline;1,1,1-triethoxyethane
CID 167681248
6-bromo-1-(2-chloro-5-fluoroquinazolin-4-yl)-3,5-dihydro-2H-4,1-benzoxazepine;[4-(6-bromo-3,5-dihydro-2H-4,1-benzoxazepin-1-yl)-5-fluoroquinazolin-2-yl]methanamine;6-bromo-1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,5-dihydro-2H-4,1-benzoxazepine;9-bromo-1,3,4,5-tetrahydro-2-benzoxepine;2,4-dichloro-5-fluoroquinazoline;hydrazine;1,1,1-triethoxyethane;hydrate
CID 167699909

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate?
The IUPAC name of 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate (CID 167560321) is 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate.
What is the SMILES notation for 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate?
The canonical SMILES for 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate is C.CCOC(OCC)OCC.Fc1cc2c(Cl)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc(Cl)nc2cc1Br.Fc1cc2c(N3CCCCc4ccccc43)nc3nncn3c2cc1Br.NCc1nc(N2CCCCc3ccccc32)c2cc(F)c(Br)cc2n1.NN.O.c1ccc2c(c1)CCCCC2.
What is the InChIKey of 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate?
The InChIKey is OZYWGYMNUYJTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN5.C19H18BrFN4.C18H14BrClFN3.C11H14.C8H2BrCl2FN2.C7H16O3.CH4.H4N2.H2O/c20-14-10-17-13(9-15(14)21)18(23-19-24-22-11-26(17)19)25-8-4-3-6-12-5-1-2-7-16(12)25;20-14-10-16-13(9-15(14)21)19(24-18(11-22)23-16)25-8-4-3-6-12-5-1-2-7-17(12)25;19-13-10-15-12(9-14(13)21)17(23-18(20)22-15)24-8-4-3-6-11-5-1-2-7-16(11)24;1-2-6-10-8-4-5-9-11(10)7-3-1;9-4-2-6-3(1-5(4)12)7(10)14-8(11)13-6;1-4-8-7(9-5-2)10-6-3;;1-2;/h1-2,5,7,9-11H,3-4,6,8H2;1-2,5,7,9-10H,3-4,6,8,11,22H2;1-2,5,7,9-10H,3-4,6,8H2;4-5,8-9H,1-3,6-7H2;1-2H;7H,4-6H2,1-3H3;1H4;1-2H2;1H2.
What are the key properties of 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate?
1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate has a molecular weight of 1876.70 g/mol, XLogP of 21.58, 10 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-2-chloro-6-fluoroquinazolin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine;7-bromo-2,4-dichloro-6-fluoroquinazoline;[7-bromo-6-fluoro-4-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)quinazolin-2-yl]methanamine;8-bromo-7-fluoro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1,2,4]triazolo[4,3-a]quinazoline;diethoxymethoxyethane;hydrazine;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;hydrate is sourced from PubChem (CID 167560321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).