4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol

C20H19N3O4 — CID 142432954

IUPAC4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol
SMILESCOc1cc2nc(C)nc(NC(C)c3cc4cccc(O)c4o3)c2cc1O
InChIInChI=1S/C20H19N3O4/c1-10(17-7-12-5-4-6-15(24)19(12)27-17)21-20-13-8-16(25)18(26-3)9-14(13)22-11(2)23-20/h4-10,24-25H,1-3H3,(H,21,22,23)
InChIKeyAQYVYFGAOFXZNA-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.28
Rot. Bonds4

About 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol

4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol (PubChem CID 142432954) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol.

Molecular Properties

Compound Name4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol
PubChem CID142432954
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol
SMILESCOc1cc2nc(C)nc(NC(C)c3cc4cccc(O)c4o3)c2cc1O
InChIInChI=1S/C20H19N3O4/c1-10(17-7-12-5-4-6-15(24)19(12)27-17)21-20-13-8-16(25)18(26-3)9-14(13)22-11(2)23-20/h4-10,24-25H,1-3H3,(H,21,22,23)
InChIKeyAQYVYFGAOFXZNA-UHFFFAOYSA-N
XLogP4.28
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol with MolForge

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Related Compounds

7-methoxy-2-methyl-4-[[(1R)-1-[3-(1H-pyrazol-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 135336440
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-ol
CID 169087318
7-methoxy-2-methyl-4-[[(1R)-1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]ethyl]amino]quinazolin-6-ol
CID 142432724
6,7-dimethoxy-2-methyl-N-propan-2-ylquinazolin-4-amine
CID 177115997
N-[1-(4-bromophenyl)ethyl]-6,7-dimethoxy-2-methylquinazolin-4-amine
CID 135336419
6,7-dimethoxy-2-methyl-N-[1-(2-methylindazol-7-yl)ethyl]quinazolin-4-amine
CID 146197421
6,7-dimethoxy-2-methyl-N-[(1S)-1-(5-phenylthiophen-2-yl)ethyl]quinazolin-4-amine
CID 164824073
5-[7-methoxy-2-methyl-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]quinazolin-6-yl]-N,N-dimethylpyridine-2-carboxamide
CID 155513101
[5-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]thiophen-2-yl]boronic acid
CID 142432868
[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197308
6,7-dimethoxy-2-methyl-N-[1-[3-(4-methylsulfonylphenyl)phenyl]ethyl]quinazolin-4-amine
CID 135336379
6,7-dimethoxy-2-methyl-N-[1-(1-methylindazol-4-yl)ethyl]quinazolin-4-amine
CID 135338436

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol?
The IUPAC name of 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol (CID 142432954) is 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol.
What is the SMILES notation for 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol?
The canonical SMILES for 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol is COc1cc2nc(C)nc(NC(C)c3cc4cccc(O)c4o3)c2cc1O.
What is the InChIKey of 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol?
The InChIKey is AQYVYFGAOFXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-10(17-7-12-5-4-6-15(24)19(12)27-17)21-20-13-8-16(25)18(26-3)9-14(13)22-11(2)23-20/h4-10,24-25H,1-3H3,(H,21,22,23).
What are the key properties of 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol?
4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol has a molecular weight of 365.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-hydroxy-1-benzofuran-2-yl)ethylamino]-7-methoxy-2-methylquinazolin-6-ol is sourced from PubChem (CID 142432954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).