4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C24H31N5O3S — CID 118101350

IUPAC4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3cc(OCC4CCN(C)CC4)cc(OC4CCOCC4)c23)n1
InChIInChI=1S/C24H31N5O3S/c1-16-14-33-24(27-16)28-23-22-20(25-15-26-23)11-19(31-13-17-3-7-29(2)8-4-17)12-21(22)32-18-5-9-30-10-6-18/h11-12,14-15,17-18H,3-10,13H2,1-2H3,(H,25,26,27,28)
InChIKeyOJRIYCYUQDUVMZ-UHFFFAOYSA-N
MW469.61 g/mol
LogP4.42
Rot. Bonds7

About 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 118101350) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID118101350
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC Name4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3cc(OCC4CCN(C)CC4)cc(OC4CCOCC4)c23)n1
InChIInChI=1S/C24H31N5O3S/c1-16-14-33-24(27-16)28-23-22-20(25-15-26-23)11-19(31-13-17-3-7-29(2)8-4-17)12-21(22)32-18-5-9-30-10-6-18/h11-12,14-15,17-18H,3-10,13H2,1-2H3,(H,25,26,27,28)
InChIKeyOJRIYCYUQDUVMZ-UHFFFAOYSA-N
XLogP4.42
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

2-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazole
CID 118101329
(2R)-3-[5-(oxan-4-yloxy)-4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]quinazolin-7-yl]oxypropane-1,2-diol
CID 118101351
N-[7-(3-morpholin-4-ylpropoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine
CID 118101348
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
7-(2-methoxyethoxy)-N-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68891341
tert-butyl 4-[[4-(3-chloroanilino)-5-(1-methylpiperidin-4-yl)oxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 68885631
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
CID 86594820
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116
N-(3-bromophenyl)-5-(1-methylpiperidin-4-yl)oxy-7-phenylmethoxyquinazolin-4-amine
CID 68885074
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine;hydrochloride
CID 11974114
7-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68955817

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 118101350) is 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncnc3cc(OCC4CCN(C)CC4)cc(OC4CCOCC4)c23)n1.
What is the InChIKey of 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OJRIYCYUQDUVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-16-14-33-24(27-16)28-23-22-20(25-15-26-23)11-19(31-13-17-3-7-29(2)8-4-17)12-21(22)32-18-5-9-30-10-6-18/h11-12,14-15,17-18H,3-10,13H2,1-2H3,(H,25,26,27,28).
What are the key properties of 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 469.61 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[7-[(1-methylpiperidin-4-yl)methoxy]-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118101350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).