4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol

C18H17N3O2 — CID 143731355

IUPAC4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3cccc4c3CCC4)c2cc1O
InChIInChI=1S/C18H17N3O2/c1-23-17-9-15-13(8-16(17)22)18(20-10-19-15)21-14-7-3-5-11-4-2-6-12(11)14/h3,5,7-10,22H,2,4,6H2,1H3,(H,19,20,21)
InChIKeyRREHEDAVUKKRDN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.58
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol

4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol (PubChem CID 143731355) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
PubChem CID143731355
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
SMILESCOc1cc2ncnc(Nc3cccc4c3CCC4)c2cc1O
InChIInChI=1S/C18H17N3O2/c1-23-17-9-15-13(8-16(17)22)18(20-10-19-15)21-14-7-3-5-11-4-2-6-12(11)14/h3,5,7-10,22H,2,4,6H2,1H3,(H,19,20,21)
InChIKeyRREHEDAVUKKRDN-UHFFFAOYSA-N
XLogP3.58
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
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
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexane;methylcyclohexane
CID 143731396
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-ol;hexan-3-ol;methylcyclohexane
CID 143731387
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol?
The IUPAC name of 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol (CID 143731355) is 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol is COc1cc2ncnc(Nc3cccc4c3CCC4)c2cc1O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol?
The InChIKey is RREHEDAVUKKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-9-15-13(8-16(17)22)18(20-10-19-15)21-14-7-3-5-11-4-2-6-12(11)14/h3,5,7-10,22H,2,4,6H2,1H3,(H,19,20,21).
What are the key properties of 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol?
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol has a molecular weight of 307.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol is sourced from PubChem (CID 143731355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).