4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine

C23H26BrN5 — CID 90248895

IUPAC4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
SMILESCN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4Br)CC3)c2c1
InChIInChI=1S/C23H26BrN5/c1-27(2)17-9-10-20-18(15-17)23(26-22(25-20)16-7-8-16)29-13-11-28(12-14-29)21-6-4-3-5-19(21)24/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3
InChIKeyUXOXNLXGUHECCT-UHFFFAOYSA-N
MW452.40 g/mol
LogP4.66
Rot. Bonds4

About 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine

4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine (PubChem CID 90248895) has the molecular formula C23H26BrN5 and a molecular weight of 452.40 g/mol. Its IUPAC name is 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
PubChem CID90248895
Molecular FormulaC23H26BrN5
Molecular Weight452.40 g/mol
Exact Mass451.14
IUPAC Name4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine
SMILESCN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4Br)CC3)c2c1
InChIInChI=1S/C23H26BrN5/c1-27(2)17-9-10-20-18(15-17)23(26-22(25-20)16-7-8-16)29-13-11-28(12-14-29)21-6-4-3-5-19(21)24/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3
InChIKeyUXOXNLXGUHECCT-UHFFFAOYSA-N
XLogP4.66
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine (CID 90248895) is 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine is CN(C)c1ccc2nc(C3CC3)nc(N3CCN(c4ccccc4Br)CC3)c2c1.
What is the InChIKey of 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine?
The InChIKey is UXOXNLXGUHECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5/c1-27(2)17-9-10-20-18(15-17)23(26-22(25-20)16-7-8-16)29-13-11-28(12-14-29)21-6-4-3-5-19(21)24/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3.
What are the key properties of 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine?
4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine has a molecular weight of 452.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromophenyl)piperazin-1-yl]-2-cyclopropyl-N,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 90248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).