6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride

C22H18Br2ClN3O2 — CID 67699153

IUPAC6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
SMILESCOc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCc1ccccc1Br.Cl
InChIInChI=1S/C22H17Br2N3O2.ClH/c1-28-21-11-16(7-9-20(21)29-12-14-4-2-3-5-18(14)24)27-22-17-10-15(23)6-8-19(17)25-13-26-22;/h2-11,13H,12H2,1H3,(H,25,26,27);1H
InChIKeyNFYKIJSFDZROAU-UHFFFAOYSA-N
MW551.67 g/mol
LogP6.91
Rot. Bonds6

About 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride

6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride (PubChem CID 67699153) has the molecular formula C22H18Br2ClN3O2 and a molecular weight of 551.67 g/mol. Its IUPAC name is 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
PubChem CID67699153
Molecular FormulaC22H18Br2ClN3O2
Molecular Weight551.67 g/mol
Exact Mass548.95
IUPAC Name6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride
SMILESCOc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCc1ccccc1Br.Cl
InChIInChI=1S/C22H17Br2N3O2.ClH/c1-28-21-11-16(7-9-20(21)29-12-14-4-2-3-5-18(14)24)27-22-17-10-15(23)6-8-19(17)25-13-26-22;/h2-11,13H,12H2,1H3,(H,25,26,27);1H
InChIKeyNFYKIJSFDZROAU-UHFFFAOYSA-N
XLogP6.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine
CID 67698787
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
6,7-dimethoxy-N-[4-phenylmethoxy-3-(trifluoromethyl)phenyl]quinazolin-4-amine;hydrochloride
CID 44523346
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]quinazolin-4-amine
CID 87021045
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6-(3-aminobut-1-ynyl)-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine
CID 139930661
1-(3-acetylphenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]urea
CID 44569793

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride?
The IUPAC name of 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride (CID 67699153) is 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride is COc1cc(Nc2ncnc3ccc(Br)cc23)ccc1OCc1ccccc1Br.Cl.
What is the InChIKey of 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride?
The InChIKey is NFYKIJSFDZROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Br2N3O2.ClH/c1-28-21-11-16(7-9-20(21)29-12-14-4-2-3-5-18(14)24)27-22-17-10-15(23)6-8-19(17)25-13-26-22;/h2-11,13H,12H2,1H3,(H,25,26,27);1H.
What are the key properties of 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride?
6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride has a molecular weight of 551.67 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 67699153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).