7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine

C22H20BrF2N5O — CID 165120441

IUPAC7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(Br)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12
InChIInChI=1S/C22H20BrF2N5O/c1-12(10-30(2)3)31-18-8-13(23)7-16-19(18)22(28-11-27-16)29-17-9-15(24)21-14(20(17)25)5-4-6-26-21/h4-9,11-12H,10H2,1-3H3,(H,27,28,29)/t12-/m1/s1
InChIKeyURZGLIPBNZKZKI-GFCCVEGCSA-N
MW488.34 g/mol
LogP5.29
Rot. Bonds6

About 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine

7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine (PubChem CID 165120441) has the molecular formula C22H20BrF2N5O and a molecular weight of 488.34 g/mol. Its IUPAC name is 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
PubChem CID165120441
Molecular FormulaC22H20BrF2N5O
Molecular Weight488.34 g/mol
Exact Mass487.08
IUPAC Name7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(Br)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12
InChIInChI=1S/C22H20BrF2N5O/c1-12(10-30(2)3)31-18-8-13(23)7-16-19(18)22(28-11-27-16)29-17-9-15(24)21-14(20(17)25)5-4-6-26-21/h4-9,11-12H,10H2,1-3H3,(H,27,28,29)/t12-/m1/s1
InChIKeyURZGLIPBNZKZKI-GFCCVEGCSA-N
XLogP5.29
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120422
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(1R)-1-(oxetan-3-yl)ethoxy]quinazolin-4-amine
CID 165120623
7-bromo-5-[(2S,3S)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)quinazolin-4-amine
CID 165120608
1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
CID 165120308
2-[(3R)-1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-3-yl]propan-2-ol
CID 165120302
6-[[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]-5-fluoro-1H-quinolin-2-one
CID 165120383
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
CID 165120541
5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
CID 165120430
7-bromo-N-(3-chloro-2,4-difluorophenyl)-5-[1-(1-methylindol-2-yl)ethoxy]quinazolin-4-amine
CID 172621887
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine
CID 165120558
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[5-[[[(2R)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)quinazolin-5-yl]oxypropyl]-methylamino]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]quinazolin-4-amine
CID 165120537

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The IUPAC name of 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine (CID 165120441) is 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The canonical SMILES for 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine is C[C@H](CN(C)C)Oc1cc(Br)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12.
What is the InChIKey of 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
The InChIKey is URZGLIPBNZKZKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20BrF2N5O/c1-12(10-30(2)3)31-18-8-13(23)7-16-19(18)22(28-11-27-16)29-17-9-15(24)21-14(20(17)25)5-4-6-26-21/h4-9,11-12H,10H2,1-3H3,(H,27,28,29)/t12-/m1/s1.
What are the key properties of 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine?
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine has a molecular weight of 488.34 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 165120441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).