methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate

C23H27N7O5 — CID 164897057

IUPACmethyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1cc2c(Nc3nccc(N4CCOCC4)n3)ncnc2cc1OC
InChIInChI=1S/C23H27N7O5/c1-33-18-13-16-15(12-17(18)27-20(31)4-3-5-21(32)34-2)22(26-14-25-16)29-23-24-7-6-19(28-23)30-8-10-35-11-9-30/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28,29)
InChIKeyHCYPQMWRWLNLOA-UHFFFAOYSA-N
MW481.51 g/mol
LogP2.29
Rot. Bonds9

About methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate

methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate (PubChem CID 164897057) has the molecular formula C23H27N7O5 and a molecular weight of 481.51 g/mol. Its IUPAC name is methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate
PubChem CID164897057
Molecular FormulaC23H27N7O5
Molecular Weight481.51 g/mol
Exact Mass481.21
IUPAC Namemethyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)Nc1cc2c(Nc3nccc(N4CCOCC4)n3)ncnc2cc1OC
InChIInChI=1S/C23H27N7O5/c1-33-18-13-16-15(12-17(18)27-20(31)4-3-5-21(32)34-2)22(26-14-25-16)29-23-24-7-6-19(28-23)30-8-10-35-11-9-30/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28,29)
InChIKeyHCYPQMWRWLNLOA-UHFFFAOYSA-N
XLogP2.29
TPSA140.69 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate with MolForge

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Related Compounds

N-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-7-methoxy-6-nitroquinazolin-4-amine
CID 164897053
2-[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]-7-methoxyquinazolin-6-yl]pentanediamide
CID 175759969
4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
CID 164897040
N-[3-[[6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-yl]amino]-4-methylphenyl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 22732258
N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide
CID 24945370
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-[4-(3-methoxy-4-phenylmethoxyanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 18535837
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-morpholin-4-ylbut-2-enamide
CID 11511163
3-bromo-N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]propanamide
CID 137443285
ethane;methane;2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazole-4-carboxylic acid
CID 142104621

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate (CID 164897057) is methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)Nc1cc2c(Nc3nccc(N4CCOCC4)n3)ncnc2cc1OC.
What is the InChIKey of methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate?
The InChIKey is HCYPQMWRWLNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O5/c1-33-18-13-16-15(12-17(18)27-20(31)4-3-5-21(32)34-2)22(26-14-25-16)29-23-24-7-6-19(28-23)30-8-10-35-11-9-30/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,27,31)(H,24,25,26,28,29).
What are the key properties of methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate?
methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate has a molecular weight of 481.51 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 164897057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).