7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine

C20H22BrN5S — CID 141012316

IUPAC7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1ncnc2cc(CN3CCN(CC=Cc4ccc(Br)s4)CC3)ccc12
InChIInChI=1S/C20H22BrN5S/c21-19-6-4-16(27-19)2-1-7-25-8-10-26(11-9-25)13-15-3-5-17-18(12-15)23-14-24-20(17)22/h1-6,12,14H,7-11,13H2,(H2,22,23,24)
InChIKeyUUMHWNDQZHTGMU-UHFFFAOYSA-N
MW444.40 g/mol
LogP3.87
Rot. Bonds5

About 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine

7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 141012316) has the molecular formula C20H22BrN5S and a molecular weight of 444.40 g/mol. Its IUPAC name is 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID141012316
Molecular FormulaC20H22BrN5S
Molecular Weight444.40 g/mol
Exact Mass443.08
IUPAC Name7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine
SMILESNc1ncnc2cc(CN3CCN(CC=Cc4ccc(Br)s4)CC3)ccc12
InChIInChI=1S/C20H22BrN5S/c21-19-6-4-16(27-19)2-1-7-25-8-10-26(11-9-25)13-15-3-5-17-18(12-15)23-14-24-20(17)22/h1-6,12,14H,7-11,13H2,(H2,22,23,24)
InChIKeyUUMHWNDQZHTGMU-UHFFFAOYSA-N
XLogP3.87
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]piperazine-2-carbaldehyde
CID 174447763
1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enyl]-3,3-dimethylpiperazin-2-one
CID 69024936
1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-4a,5,6,7,8,8a-hexahydro-3H-quinoxalin-2-one
CID 67014862
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-3-ethylpiperazin-2-one
CID 54470512
1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-3-yl)prop-2-enyl]piperazin-2-one
CID 54126901
(3S)-1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-(methoxymethyl)piperazine-2-carbaldehyde
CID 174461004
7-[[4-[3-(4-chlorophenyl)prop-2-ynyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 174415094
1-[(4-aminoquinazolin-7-yl)methyl]-5-butyl-4-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enyl]piperazine-2,3-dione
CID 69026379
1-[(4-aminoquinazolin-7-yl)methyl]-4-[3-(5-chlorothiophen-2-yl)prop-2-enyl]-6-methyl-3-propylpiperazin-2-one
CID 67015075
7-(4-pyrrolidin-1-ylbut-2-enoxy)quinazolin-4-amine
CID 69041177
7-(4-morpholin-4-ylbut-2-enoxy)quinazolin-4-amine
CID 69039069
(3S)-3-amino-1-[(4-aminoquinazolin-7-yl)methyl]pyrrolidin-2-one;hydrochloride
CID 20680716

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine (CID 141012316) is 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine is Nc1ncnc2cc(CN3CCN(CC=Cc4ccc(Br)s4)CC3)ccc12.
What is the InChIKey of 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is UUMHWNDQZHTGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5S/c21-19-6-4-16(27-19)2-1-7-25-8-10-26(11-9-25)13-15-3-5-17-18(12-15)23-14-24-20(17)22/h1-6,12,14H,7-11,13H2,(H2,22,23,24).
What are the key properties of 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine?
7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 444.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[3-(5-bromothiophen-2-yl)prop-2-enyl]piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 141012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).