N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

C19H20BrN5 — CID 7193049

IUPACN-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCN1CCN(c2nc(Nc3ccc(Br)cc3)nc3ccccc23)CC1
InChIInChI=1S/C19H20BrN5/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)22-19(23-18)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,22,23)
InChIKeySMHNHQFKDDCFAT-UHFFFAOYSA-N
MW398.31 g/mol
LogP3.89
Rot. Bonds3

About N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (PubChem CID 7193049) has the molecular formula C19H20BrN5 and a molecular weight of 398.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
PubChem CID7193049
Molecular FormulaC19H20BrN5
Molecular Weight398.31 g/mol
Exact Mass397.09
IUPAC NameN-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCN1CCN(c2nc(Nc3ccc(Br)cc3)nc3ccccc23)CC1
InChIInChI=1S/C19H20BrN5/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)22-19(23-18)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,22,23)
InChIKeySMHNHQFKDDCFAT-UHFFFAOYSA-N
XLogP3.89
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pd 158780
CID 4707
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
Smer 28
CID 1560402
6-Bromoquipazine
CID 130261
4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (CID 7193049) is N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is CN1CCN(c2nc(Nc3ccc(Br)cc3)nc3ccccc23)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The InChIKey is SMHNHQFKDDCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5/c1-24-10-12-25(13-11-24)18-16-4-2-3-5-17(16)22-19(23-18)21-15-8-6-14(20)7-9-15/h2-9H,10-13H2,1H3,(H,21,22,23).
What are the key properties of N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine has a molecular weight of 398.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 7193049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).