1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

C60H55N9O9 — CID 158618302

IUPAC1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2ncnc(Nc3c(O)ccc4c3CCCC4)c2cc1OC.COc1cc2ncnc(Nc3c(O)ccc4ccccc34)c2cc1OC.COc1cc2ncnc(Nc3cc4ccccc4cc3O)c2cc1OC
InChIInChI=1S/C20H17N3O3.C20H21N3O3.C20H17N3O3/c1-25-18-9-14-15(10-19(18)26-2)21-11-22-20(14)23-16-7-12-5-3-4-6-13(12)8-17(16)24;2*1-25-17-9-14-15(10-18(17)26-2)21-11-22-20(14)23-19-13-6-4-3-5-12(13)7-8-16(19)24/h3-11,24H,1-2H3,(H,21,22,23);7-11,24H,3-6H2,1-2H3,(H,21,22,23);3-11,24H,1-2H3,(H,21,22,23)
InChIKeyHXRAQYIEQXGPNU-UHFFFAOYSA-N
MW1046.15 g/mol
LogP12.47
Rot. Bonds12

About 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol

1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 158618302) has the molecular formula C60H55N9O9 and a molecular weight of 1046.15 g/mol. Its IUPAC name is 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID158618302
Molecular FormulaC60H55N9O9
Molecular Weight1046.15 g/mol
Exact Mass1045.41
IUPAC Name1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1cc2ncnc(Nc3c(O)ccc4c3CCCC4)c2cc1OC.COc1cc2ncnc(Nc3c(O)ccc4ccccc34)c2cc1OC.COc1cc2ncnc(Nc3cc4ccccc4cc3O)c2cc1OC
InChIInChI=1S/C20H17N3O3.C20H21N3O3.C20H17N3O3/c1-25-18-9-14-15(10-19(18)26-2)21-11-22-20(14)23-16-7-12-5-3-4-6-13(12)8-17(16)24;2*1-25-17-9-14-15(10-18(17)26-2)21-11-22-20(14)23-19-13-6-4-3-5-12(13)7-8-16(19)24/h3-11,24H,1-2H3,(H,21,22,23);7-11,24H,3-6H2,1-2H3,(H,21,22,23);3-11,24H,1-2H3,(H,21,22,23)
InChIKeyHXRAQYIEQXGPNU-UHFFFAOYSA-N
XLogP12.47
TPSA229.50 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001046.15
LogP ≤ 512.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
CID 23569367
1-[(6,7-dimethylquinazolin-4-yl)amino]naphthalen-2-ol;dihydrate
CID 159185240
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107
4-fluoro-3-[[6-methoxy-7-(oxolan-2-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 118112194
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 158618302) is 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1cc2ncnc(Nc3c(O)ccc4c3CCCC4)c2cc1OC.COc1cc2ncnc(Nc3c(O)ccc4ccccc34)c2cc1OC.COc1cc2ncnc(Nc3cc4ccccc4cc3O)c2cc1OC.
What is the InChIKey of 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is HXRAQYIEQXGPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3.C20H21N3O3.C20H17N3O3/c1-25-18-9-14-15(10-19(18)26-2)21-11-22-20(14)23-16-7-12-5-3-4-6-13(12)8-17(16)24;2*1-25-17-9-14-15(10-18(17)26-2)21-11-22-20(14)23-19-13-6-4-3-5-12(13)7-8-16(19)24/h3-11,24H,1-2H3,(H,21,22,23);7-11,24H,3-6H2,1-2H3,(H,21,22,23);3-11,24H,1-2H3,(H,21,22,23).
What are the key properties of 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol?
1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 1046.15 g/mol, XLogP of 12.47, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 158618302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).