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

C13H10BrCl2N3 — CID 172596248

IUPAC6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline
SMILESCC1C=c2c(c(Br)cc3nc(Cl)nc(Cl)c23)=NC1C
InChIInChI=1S/C13H10BrCl2N3/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2/h3-6H,1-2H3
InChIKeyBOHLHIDFOVQIAI-UHFFFAOYSA-N
MW359.05 g/mol
LogP3.14
Rot. Bonds

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

6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline (PubChem CID 172596248) has the molecular formula C13H10BrCl2N3 and a molecular weight of 359.05 g/mol. Its IUPAC name is 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline.

Molecular Properties

Compound Name6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline
PubChem CID172596248
Molecular FormulaC13H10BrCl2N3
Molecular Weight359.05 g/mol
Exact Mass356.94
IUPAC Name6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline
SMILESCC1C=c2c(c(Br)cc3nc(Cl)nc(Cl)c23)=NC1C
InChIInChI=1S/C13H10BrCl2N3/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2/h3-6H,1-2H3
InChIKeyBOHLHIDFOVQIAI-UHFFFAOYSA-N
XLogP3.14
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.05
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-6,6,7-trimethyl-5,6-dihydroquinazoline
CID 87167476
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-6-ethenyl-5-pent-4-en-2-ylpyrimidin-2-amine
CID 117730787
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline?
The IUPAC name of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline (CID 172596248) is 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline.
What is the SMILES notation for 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline?
The canonical SMILES for 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline is 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?
The InChIKey is BOHLHIDFOVQIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N3/c1-5-3-7-10-9(18-13(16)19-12(10)15)4-8(14)11(7)17-6(5)2/h3-6H,1-2H3.
What are the key properties of 6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline?
6-bromo-1,3-dichloro-8,9-dimethyl-8,9-dihydropyrido[3,2-f]quinazoline has a molecular weight of 359.05 g/mol, XLogP of 3.14, 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 is sourced from PubChem (CID 172596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).