6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol

C16H14BrN3O2 — CID 137291069

IUPAC6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
SMILESCOc1cccc(Nc2ncnc3cc(O)c(Br)cc23)c1C
InChIInChI=1S/C16H14BrN3O2/c1-9-12(4-3-5-15(9)22-2)20-16-10-6-11(17)14(21)7-13(10)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyFGUNSSYMKLIWBT-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.16
Rot. Bonds3

About 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol

6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol (PubChem CID 137291069) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol.

Molecular Properties

Compound Name6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
PubChem CID137291069
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
SMILESCOc1cccc(Nc2ncnc3cc(O)c(Br)cc23)c1C
InChIInChI=1S/C16H14BrN3O2/c1-9-12(4-3-5-15(9)22-2)20-16-10-6-11(17)14(21)7-13(10)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyFGUNSSYMKLIWBT-UHFFFAOYSA-N
XLogP4.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
6-bromo-N-(3-chloro-2-methylphenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 135201644
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
(2S,3R,4S,5S)-1-[4-(3-bromo-2-methylanilino)-6-methoxyquinazolin-7-yl]-5-methoxyhexane-1,2,3,4,6-pentol
CID 140867560
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
1-N-(6-bromo-7-methoxyquinazolin-4-yl)-4-ethyl-3-N,2-dimethylbenzene-1,3-diamine
CID 146246203
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol?
The IUPAC name of 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol (CID 137291069) is 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol.
What is the SMILES notation for 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol?
The canonical SMILES for 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol is COc1cccc(Nc2ncnc3cc(O)c(Br)cc23)c1C.
What is the InChIKey of 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol?
The InChIKey is FGUNSSYMKLIWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-9-12(4-3-5-15(9)22-2)20-16-10-6-11(17)14(21)7-13(10)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol?
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol has a molecular weight of 360.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol is sourced from PubChem (CID 137291069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).