6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane

C15H16BrCl2N3 — CID 172596247

IUPAC6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane
SMILESCC.CC1C=c2c(c(Br)cc3nc(Cl)nc(Cl)c23)=NC1C
InChIInChI=1S/C13H10BrCl2N3.C2H6/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyGUYXIEAVEVSMTH-UHFFFAOYSA-N
MW389.12 g/mol
LogP4.16
Rot. Bonds

About 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane

6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane (PubChem CID 172596247) has the molecular formula C15H16BrCl2N3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane.

Molecular Properties

Compound Name6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane
PubChem CID172596247
Molecular FormulaC15H16BrCl2N3
Molecular Weight389.12 g/mol
Exact Mass386.99
IUPAC Name6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane
SMILESCC.CC1C=c2c(c(Br)cc3nc(Cl)nc(Cl)c23)=NC1C
InChIInChI=1S/C13H10BrCl2N3.C2H6/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyGUYXIEAVEVSMTH-UHFFFAOYSA-N
XLogP4.16
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane with MolForge

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Related Compounds

(5Z)-7-bromo-2,4-dichloro-5-ethylidenequinazolin-6-imine;2,2-difluoro-4-methylhexane
CID 172596607
2,4-dichloro-5-methyl-7H-cyclopenta[d]pyrimidine
CID 59073944
4-Chloro-6,6-dimethyl-5,6-dihydroquinazoline
CID 86647861
4-Chloro-6-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-5-methylpyrimidine
CID 87946124
(2,4-dichloro-5H-quinazolin-6-ylidene)methanone
CID 88492111
4-Chloro-6,7-dimethyl-5,6-dihydroquinazoline
CID 90006241
4-Chloro-6,8-dimethyl-5,6-dihydroquinazoline
CID 90006271
4-Chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline
CID 123696972
2,4-Dichloro-6-methyl-7,8-dihydroquinazoline
CID 144210415
4-Chloro-5,8-dimethyl-7,8-dihydroquinazoline
CID 145143896
5-[(1E,3E)-4-bromocycloocta-1,3,5-trien-1-yl]-4-chloro-6-methylpyrimidine;ethane
CID 145396332
4,6-dichloro-1a,7b-dihydro-1H-cyclopropa[h]quinazoline
CID 154620284

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane?
The IUPAC name of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane (CID 172596247) is 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane.
What is the SMILES notation for 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane?
The canonical SMILES for 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane is CC.CC1C=c2c(c(Br)cc3nc(Cl)nc(Cl)c23)=NC1C.
What is the InChIKey of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane?
The InChIKey is GUYXIEAVEVSMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3.C2H6/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane?
6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane has a molecular weight of 389.12 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline;ethane is sourced from PubChem (CID 172596247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).