8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine

C15H8ClF2N3O2 — CID 177312618

IUPAC8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine
SMILESFC1(F)Oc2ccc(Nc3ncc4cccc(Cl)c4n3)cc2O1
InChIInChI=1S/C15H8ClF2N3O2/c16-10-3-1-2-8-7-19-14(21-13(8)10)20-9-4-5-11-12(6-9)23-15(17,18)22-11/h1-7H,(H,19,20,21)
InChIKeyOFUJQXGOUAQJIQ-UHFFFAOYSA-N
MW335.70 g/mol
LogP4.35
Rot. Bonds2

About 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine

8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine (PubChem CID 177312618) has the molecular formula C15H8ClF2N3O2 and a molecular weight of 335.70 g/mol. Its IUPAC name is 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine
PubChem CID177312618
Molecular FormulaC15H8ClF2N3O2
Molecular Weight335.70 g/mol
Exact Mass335.03
IUPAC Name8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine
SMILESFC1(F)Oc2ccc(Nc3ncc4cccc(Cl)c4n3)cc2O1
InChIInChI=1S/C15H8ClF2N3O2/c16-10-3-1-2-8-7-19-14(21-13(8)10)20-9-4-5-11-12(6-9)23-15(17,18)22-11/h1-7H,(H,19,20,21)
InChIKeyOFUJQXGOUAQJIQ-UHFFFAOYSA-N
XLogP4.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.70
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-N-(2,3-dihydro-1-benzofuran-6-yl)quinazolin-2-amine
CID 177312596
6,8-dichloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinolin-2-amine
CID 166139075
3-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 43245747
6-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-N-ethylpyridine-2,6-diamine
CID 80769194
4-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-methylpyrimidine-2,4-diamine
CID 80768905
6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-2-carbothioamide
CID 64587644
3-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-4-carboxylic acid
CID 105062546
4-N-quinolin-3-yl-2-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrimidine-2,4-diamine
CID 20826946
1-(3-chlorophenyl)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)urea
CID 132846933
2-N-(1,3-benzodioxol-5-yl)-4-N-(2,3-dichlorophenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908174
5-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653873
2,2-difluoro-1,3-benzodioxol-5-amine;methyl 1-(2-chloro-5-methylpyrimidin-4-yl)pyrrole-3-carboxylate;methyl 1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-5-methylpyrimidin-4-yl]pyrrole-3-carboxylate
CID 158253826

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine?
The IUPAC name of 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine (CID 177312618) is 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine?
The canonical SMILES for 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine is FC1(F)Oc2ccc(Nc3ncc4cccc(Cl)c4n3)cc2O1.
What is the InChIKey of 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine?
The InChIKey is OFUJQXGOUAQJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O2/c16-10-3-1-2-8-7-19-14(21-13(8)10)20-9-4-5-11-12(6-9)23-15(17,18)22-11/h1-7H,(H,19,20,21).
What are the key properties of 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine?
8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine has a molecular weight of 335.70 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2,2-difluoro-1,3-benzodioxol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 177312618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).