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

C26H25F2N7O — CID 165120422

IUPACN-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12
InChIInChI=1S/C26H25F2N7O/c1-15(12-34(2)3)36-22-9-16(17-11-32-35(4)13-17)8-20-23(22)26(31-14-30-20)33-21-10-19(27)25-18(24(21)28)6-5-7-29-25/h5-11,13-15H,12H2,1-4H3,(H,30,31,33)/t15-/m1/s1
InChIKeyFXVIQDZQSLLQHV-OAHLLOKOSA-N
MW489.53 g/mol
LogP4.93
Rot. Bonds7

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

N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine (PubChem CID 165120422) has the molecular formula C26H25F2N7O and a molecular weight of 489.53 g/mol. Its IUPAC name is N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
PubChem CID165120422
Molecular FormulaC26H25F2N7O
Molecular Weight489.53 g/mol
Exact Mass489.21
IUPAC NameN-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12
InChIInChI=1S/C26H25F2N7O/c1-15(12-34(2)3)36-22-9-16(17-11-32-35(4)13-17)8-20-23(22)26(31-14-30-20)33-21-10-19(27)25-18(24(21)28)6-5-7-29-25/h5-11,13-15H,12H2,1-4H3,(H,30,31,33)/t15-/m1/s1
InChIKeyFXVIQDZQSLLQHV-OAHLLOKOSA-N
XLogP4.93
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
CID 165120441
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-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine
CID 165120558
5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415
N-(2,4-difluoro-3-methylphenyl)-7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyrimidin-2-ylethoxy]quinazolin-4-amine
CID 172621960
(2S)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 165120670
N-(4-fluoropyrazolo[1,5-a]pyridin-5-yl)-7-(1-methylpyrazol-4-yl)-5-[(1R)-1-pyrimidin-2-ylethoxy]quinazolin-4-amine
CID 172621900
2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxycyclobutan-1-ol
CID 165120340
7-fluoro-N-[5-[(2R)-1-methoxypropan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171088977
1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
CID 165120308
(2R)-2-[4-(5-fluoroquinolin-6-yl)imino-3-hydroxy-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 165120529

Frequently Asked Questions

What is the IUPAC name of N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine (CID 165120422) is N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine is C[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3cc(F)c4ncccc4c3F)c12.
What is the InChIKey of N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine?
The InChIKey is FXVIQDZQSLLQHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H25F2N7O/c1-15(12-34(2)3)36-22-9-16(17-11-32-35(4)13-17)8-20-23(22)26(31-14-30-20)33-21-10-19(27)25-18(24(21)28)6-5-7-29-25/h5-11,13-15H,12H2,1-4H3,(H,30,31,33)/t15-/m1/s1.
What are the key properties of N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine?
N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine has a molecular weight of 489.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 165120422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).