6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline

C16H12Cl2N2O2 — CID 139308755

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3ncncc3c2)c1Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-21-12-6-13(22-2)16(18)14(15(12)17)9-3-4-11-10(5-9)7-19-8-20-11/h3-8H,1-2H3
InChIKeyATDRDEVUJYZLAC-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.62
Rot. Bonds3

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline

6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline (PubChem CID 139308755) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline
PubChem CID139308755
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3ncncc3c2)c1Cl
InChIInChI=1S/C16H12Cl2N2O2/c1-21-12-6-13(22-2)16(18)14(15(12)17)9-3-4-11-10(5-9)7-19-8-20-11/h3-8H,1-2H3
InChIKeyATDRDEVUJYZLAC-UHFFFAOYSA-N
XLogP4.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Fisogatinib
CID 91885617
Blu-9931
CID 72710839
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-5-[2-[ethyl(propyl)amino]ethyl]-3-methylphenyl]prop-2-enamide
CID 164614106
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]prop-2-enamide
CID 164621772
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methyl-5-[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 164624573
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3,5-dimethylphenyl]prop-2-enamide
CID 89938072
N-[3-chloro-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 89938077
Fgfr4-IN-8B
CID 171713841
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]phenyl]prop-2-enamide
CID 137644036
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methyl-5-[2-(3-phenylpyrrolidin-1-yl)ethyl]phenyl]prop-2-enamide
CID 164610252
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-5-[2-[(3,3-difluorocyclobutyl)amino]ethyl]-3-methylphenyl]prop-2-enamide
CID 164610299
N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-methyl-5-propylphenyl]prop-2-enamide
CID 164610671

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline (CID 139308755) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline is COc1cc(OC)c(Cl)c(-c2ccc3ncncc3c2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline?
The InChIKey is ATDRDEVUJYZLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-21-12-6-13(22-2)16(18)14(15(12)17)9-3-4-11-10(5-9)7-19-8-20-11/h3-8H,1-2H3.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline?
6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline has a molecular weight of 335.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazoline is sourced from PubChem (CID 139308755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).