N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine

C19H15BrF3N5 — CID 166476335

IUPACN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine
SMILESCC(Nc1nc2nccn2c2ccc(Br)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15BrF3N5/c1-10(11-6-12(19(21,22)23)8-14(24)7-11)26-17-15-9-13(20)2-3-16(15)28-5-4-25-18(28)27-17/h2-10H,24H2,1H3,(H,25,26,27)
InChIKeyUTXJVIYGATWMOP-UHFFFAOYSA-N
MW450.26 g/mol
LogP5.42
Rot. Bonds3

About N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine

N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine (PubChem CID 166476335) has the molecular formula C19H15BrF3N5 and a molecular weight of 450.26 g/mol. Its IUPAC name is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine
PubChem CID166476335
Molecular FormulaC19H15BrF3N5
Molecular Weight450.26 g/mol
Exact Mass449.05
IUPAC NameN-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine
SMILESCC(Nc1nc2nccn2c2ccc(Br)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15BrF3N5/c1-10(11-6-12(19(21,22)23)8-14(24)7-11)26-17-15-9-13(20)2-3-16(15)28-5-4-25-18(28)27-17/h2-10H,24H2,1H3,(H,25,26,27)
InChIKeyUTXJVIYGATWMOP-UHFFFAOYSA-N
XLogP5.42
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.26
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-pyridin-2-ylimidazo[1,2-a]quinazolin-5-amine
CID 170554223
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]quinazolin-5-amine
CID 170554206
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-bromoquinazolin-4-amine
CID 175277359
[7-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-1,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl]-(1-methoxycyclopropyl)methanone
CID 166476646
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-dimethylphosphoryl-2-methylpyrido[2,3-d]pyrimidin-4-amine
CID 164897555
4-[1-[3-amino-5-(trifluoromethyl)phenyl]ethylamino]-6,7-dimethoxy-1H-quinazolin-2-one
CID 163257254
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(azetidin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726156
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(5-bromo-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 175179861
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-4-amine
CID 176726175
(7S,10S)-N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2,7,10-trimethyl-7,8,9,10-tetrahydro-[1,4]dioxocino[2,3-g]quinazolin-4-amine
CID 167153895
4-N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-N-methyl-6-morpholin-4-ylquinazoline-2,4-diamine
CID 176726195
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-methoxy-2-methyl-7-(oxetan-3-ylmethoxy)quinazolin-4-amine
CID 170317384

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine?
The IUPAC name of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine (CID 166476335) is N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine.
What is the SMILES notation for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine?
The canonical SMILES for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine is CC(Nc1nc2nccn2c2ccc(Br)cc12)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine?
The InChIKey is UTXJVIYGATWMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF3N5/c1-10(11-6-12(19(21,22)23)8-14(24)7-11)26-17-15-9-13(20)2-3-16(15)28-5-4-25-18(28)27-17/h2-10H,24H2,1H3,(H,25,26,27).
What are the key properties of N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine?
N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine has a molecular weight of 450.26 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-bromoimidazo[1,2-a]quinazolin-5-amine is sourced from PubChem (CID 166476335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).