N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride

C22H18BrClFN3O — CID 139768591

IUPACN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride
SMILESCl.Fc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1
InChIInChI=1S/C22H17BrFN3O.ClH/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22;/h1-12H,13-14H2,(H,25,26,27);1H
InChIKeyJHXAVVRLRPNBAV-UHFFFAOYSA-N
MW474.76 g/mol
LogP6.41
Rot. Bonds6

About N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride

N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride (PubChem CID 139768591) has the molecular formula C22H18BrClFN3O and a molecular weight of 474.76 g/mol. Its IUPAC name is N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride
PubChem CID139768591
Molecular FormulaC22H18BrClFN3O
Molecular Weight474.76 g/mol
Exact Mass473.03
IUPAC NameN-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride
SMILESCl.Fc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1
InChIInChI=1S/C22H17BrFN3O.ClH/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22;/h1-12H,13-14H2,(H,25,26,27);1H
InChIKeyJHXAVVRLRPNBAV-UHFFFAOYSA-N
XLogP6.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]quinazolin-2-amine
CID 68325740
N-[2-bromo-5-[N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 85129415
N-[2-bromo-5-[1-[(4-fluorophenyl)methoxyamino]ethenyl]phenyl]quinazolin-4-amine
CID 90972995
N-[2-bromo-5-[(E)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 142929578
2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine
CID 174545589
6-bromo-5-fluoro-N-[(4-methoxyphenyl)methyl]quinazolin-2-amine
CID 177253905
N-[2-bromo-5-[(Z)-N-[(4-fluorophenyl)methoxy]-C-methylcarbonimidoyl]phenyl]quinazolin-4-amine
CID 10389739
6-Bromo-4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]quinazoline
CID 133422232
N-[4-(ethoxymethyl)phenyl]-6-fluoroquinazolin-4-amine
CID 133428300
N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine
CID 139768592
6-bromo-N-(1-phenylmethoxybutan-2-yl)quinazolin-4-amine
CID 20545410
6-bromo-N-[2-[2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67598337

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride?
The IUPAC name of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride (CID 139768591) is N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride.
What is the SMILES notation for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride?
The canonical SMILES for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride is Cl.Fc1ccccc1COCc1ccc(Nc2ncc3ccccc3n2)c(Br)c1.
What is the InChIKey of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride?
The InChIKey is JHXAVVRLRPNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3O.ClH/c23-18-11-15(13-28-14-17-6-1-3-7-19(17)24)9-10-21(18)27-22-25-12-16-5-2-4-8-20(16)26-22;/h1-12H,13-14H2,(H,25,26,27);1H.
What are the key properties of N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride?
N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride has a molecular weight of 474.76 g/mol, XLogP of 6.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-[(2-fluorophenyl)methoxymethyl]phenyl]quinazolin-2-amine;hydrochloride is sourced from PubChem (CID 139768591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).