1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol

C24H25ClN4O5 — CID 10116957

IUPAC1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C24H25ClN4O5/c1-31-21-9-17-20(10-22(21)33-12-15(30)11-29-5-7-32-8-6-29)26-14-27-24(17)28-19-4-2-3-16-18(25)13-34-23(16)19/h2-4,9-10,13-15,30H,5-8,11-12H2,1H3,(H,26,27,28)
InChIKeyGJMPEOUHPCKLBC-UHFFFAOYSA-N
MW484.94 g/mol
LogP3.85
Rot. Bonds8

About 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol

1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 10116957) has the molecular formula C24H25ClN4O5 and a molecular weight of 484.94 g/mol. Its IUPAC name is 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID10116957
Molecular FormulaC24H25ClN4O5
Molecular Weight484.94 g/mol
Exact Mass484.15
IUPAC Name1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCC(O)CN1CCOCC1
InChIInChI=1S/C24H25ClN4O5/c1-31-21-9-17-20(10-22(21)33-12-15(30)11-29-5-7-32-8-6-29)26-14-27-24(17)28-19-4-2-3-16-18(25)13-34-23(16)19/h2-4,9-10,13-15,30H,5-8,11-12H2,1H3,(H,26,27,28)
InChIKeyGJMPEOUHPCKLBC-UHFFFAOYSA-N
XLogP3.85
TPSA102.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

1-[4-(1-benzofuran-4-ylamino)-6-methoxyquinazolin-7-yl]oxy-3-piperidin-1-ylpropan-2-ol
CID 10160964
1-[4-(4-chloro-2-fluoroanilino)-6-methylquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol
CID 58780766
N-(3-chloro-1-benzofuran-7-yl)-6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-amine
CID 70004156
2-[4-[3-[4-(cyclopenta[b]pyran-5-ylamino)-6-methoxyquinazolin-7-yl]oxy-2-hydroxypropyl]piperazin-1-yl]acetonitrile
CID 87555418
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-(2,3-dimethyl-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 68741831
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330191
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-morpholin-4-ylmethanone
CID 122192384
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764
butanoic acid;N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71584867

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol (CID 10116957) is 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol is COc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCC(O)CN1CCOCC1.
What is the InChIKey of 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is GJMPEOUHPCKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O5/c1-31-21-9-17-20(10-22(21)33-12-15(30)11-29-5-7-32-8-6-29)26-14-27-24(17)28-19-4-2-3-16-18(25)13-34-23(16)19/h2-4,9-10,13-15,30H,5-8,11-12H2,1H3,(H,26,27,28).
What are the key properties of 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol?
1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 484.94 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-yl]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 10116957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).