5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine

C25H26N8O — CID 165120558

IUPAC5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3ccc4nccnc4c3)c12
InChIInChI=1S/C25H26N8O/c1-16(13-32(2)3)34-23-10-17(18-12-30-33(4)14-18)9-22-24(23)25(29-15-28-22)31-19-5-6-20-21(11-19)27-8-7-26-20/h5-12,14-16H,13H2,1-4H3,(H,28,29,31)/t16-/m1/s1
InChIKeyMKGOAHSFAQKTRR-MRXNPFEDSA-N
MW454.54 g/mol
LogP4.05
Rot. Bonds7

About 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine

5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine (PubChem CID 165120558) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine.

Molecular Properties

Compound Name5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine
PubChem CID165120558
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC Name5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine
SMILESC[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3ccc4nccnc4c3)c12
InChIInChI=1S/C25H26N8O/c1-16(13-32(2)3)34-23-10-17(18-12-30-33(4)14-18)9-22-24(23)25(29-15-28-22)31-19-5-6-20-21(11-19)27-8-7-26-20/h5-12,14-16H,13H2,1-4H3,(H,28,29,31)/t16-/m1/s1
InChIKeyMKGOAHSFAQKTRR-MRXNPFEDSA-N
XLogP4.05
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
(2R)-2-[4-(1,3-benzothiazol-6-ylamino)-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxypropan-1-ol
CID 171089461
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
N-[5-[(1R)-1-cyclopropylethoxy]-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171088976
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-fluoro-N-[5-[(2R)-1-methoxypropan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-yl]-1,3-benzothiazol-6-amine
CID 171088977
N-(2,4-difluoro-3-methylphenyl)-7-(1-methylpyrazol-4-yl)-5-[(1S)-1-pyrimidin-2-ylethoxy]quinazolin-4-amine
CID 172621960
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415
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
N-[3-ethenyl-2-fluoro-4-(methylideneamino)phenyl]-5-[1-(methylamino)propan-2-yloxy]-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120220
(2R)-2-[4-(1,3-benzothiazol-6-ylamino)-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 171089539
(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 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine?
The IUPAC name of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine (CID 165120558) is 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine.
What is the SMILES notation for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine?
The canonical SMILES for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine is C[C@H](CN(C)C)Oc1cc(-c2cnn(C)c2)cc2ncnc(Nc3ccc4nccnc4c3)c12.
What is the InChIKey of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine?
The InChIKey is MKGOAHSFAQKTRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H26N8O/c1-16(13-32(2)3)34-23-10-17(18-12-30-33(4)14-18)9-22-24(23)25(29-15-28-22)31-19-5-6-20-21(11-19)27-8-7-26-20/h5-12,14-16H,13H2,1-4H3,(H,28,29,31)/t16-/m1/s1.
What are the key properties of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine?
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine has a molecular weight of 454.54 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylquinazolin-4-amine is sourced from PubChem (CID 165120558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).