2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride

C16H15BrClN3O3 — CID 118112015

IUPAC2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(O)c3Br)c2cc1OC.Cl
InChIInChI=1S/C16H14BrN3O3.ClH/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17;/h3-8,21H,1-2H3,(H,18,19,20);1H
InChIKeyITNHAMFSBHMHIK-UHFFFAOYSA-N
MW412.67 g/mol
LogP4.28
Rot. Bonds4

About 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride

2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride (PubChem CID 118112015) has the molecular formula C16H15BrClN3O3 and a molecular weight of 412.67 g/mol. Its IUPAC name is 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
PubChem CID118112015
Molecular FormulaC16H15BrClN3O3
Molecular Weight412.67 g/mol
Exact Mass411.00
IUPAC Name2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1cc2ncnc(Nc3cccc(O)c3Br)c2cc1OC.Cl
InChIInChI=1S/C16H14BrN3O3.ClH/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17;/h3-8,21H,1-2H3,(H,18,19,20);1H
InChIKeyITNHAMFSBHMHIK-UHFFFAOYSA-N
XLogP4.28
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
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
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride (CID 118112015) is 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride is COc1cc2ncnc(Nc3cccc(O)c3Br)c2cc1OC.Cl.
What is the InChIKey of 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is ITNHAMFSBHMHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O3.ClH/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17;/h3-8,21H,1-2H3,(H,18,19,20);1H.
What are the key properties of 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride?
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 412.67 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 118112015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).