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

C17H14Cl2N2O2 — CID 118048952

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3nc(C)ncc3c2)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9-20-8-11-6-10(4-5-12(11)21-9)15-16(18)13(22-2)7-14(23-3)17(15)19/h4-8H,1-3H3
InChIKeyXGMDXRCDIVHPAG-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.93
Rot. Bonds3

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

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline (PubChem CID 118048952) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline
PubChem CID118048952
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3nc(C)ncc3c2)c1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-9-20-8-11-6-10(4-5-12(11)21-9)15-16(18)13(22-2)7-14(23-3)17(15)19/h4-8H,1-3H3
InChIKeyXGMDXRCDIVHPAG-UHFFFAOYSA-N
XLogP4.93
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-6-ethyl-3,5-dimethoxyphenyl)-2-methylquinazoline
CID 142295606
cyclopentane;6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;prop-2-enamide
CID 144836225
6-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[(3S)-pyrrolidin-3-yl]quinazolin-2-amine
CID 134321604
(1S,2R,4R)-2-N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]-4-methylcyclopentane-1,2-diamine
CID 166829234
6-methoxy-2-methylquinazoline
CID 54578216
6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;oxane;prop-2-enamide
CID 145111775
[(3S,5S)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-bicyclo[3.1.0]hexanyl]carbamic acid
CID 118036249
[(1S,2R,3S,5S)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]-3-bicyclo[3.1.0]hexanyl]carbamic acid
CID 118036245
[(2S,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]pyrrolidin-2-yl]methanol;hydrochloride
CID 138731755
tert-butyl pyrrolidine-1-carboxylate;6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-amine;methanamine
CID 144836200
3-N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]-4-N-prop-2-enyloxolane-3,4-diamine
CID 123535657
methyl (1S)-3-amino-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino]cyclopentane-1-carboxylate
CID 118048977

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline (CID 118048952) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline is COc1cc(OC)c(Cl)c(-c2ccc3nc(C)ncc3c2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline?
The InChIKey is XGMDXRCDIVHPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9-20-8-11-6-10(4-5-12(11)21-9)15-16(18)13(22-2)7-14(23-3)17(15)19/h4-8H,1-3H3.
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline has a molecular weight of 349.22 g/mol, XLogP of 4.93, 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)-2-methylquinazoline is sourced from PubChem (CID 118048952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).